Cas no 83143-57-1 (3-Amino-2,6-difluorobenzoic acid)

3-Amino-2,6-difluorobenzoic acid structure
83143-57-1 structure
Product Name:3-Amino-2,6-difluorobenzoic acid
CAS No:83143-57-1
MF:C64H106N8O41
MW:1643.55546236038
CID:708736
Update Time:2024-01-23

3-Amino-2,6-difluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • N-Acetylchitooctaose
    • N-Acetylchitooctaose Discontinued
    • N,N',N'',N''',N'''',N''''',N'''''',N'''''' OCTACETYLCHITOOCTAOSE
    • N-Acetylchitooctaose Discontinued
    • OCTA-N-ACETYLCHITOOCTAOSE
    • 4)-2-(acetylamino)-2-deoxy-
    • 4)-O-2-(
    • 4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
    • D-Glucose,O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1&reg
    • 3-Amino-2,6-difluorobenzoic acid
    • PubChem8200
    • Benzoic acid, 3-amino-2,6-difluoro-
    • WT054
    • BCP09288
    • CL8061
    • SBB052728
    • AM62560
    • AS04400
    • CM12378
    • LF10762
    • LS10203
    • VZ26251
    • SY046541
    • AB0031417
    • BB 0257438
    • X4507
    • 141A111
    • O-2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose (ACI)
    • Inchi： 1S/C64H106N8O41/c1-18(82)65-26(9-73)42(91)51(27(90)10-74)107-59-36(67-20(3)84)45(94)53(29(12-76)101-59)109-61-38(69-22(5)86)47(96)55(31(14-78)103-61)111-63-40(71-24(7)88)49(98)57(33(16-80)105-63)113-64-41(72-25(8)89)50(99)56(34(17-81)106-64)112-62-39(70-23(6)87)48(97)54(32(15-79)104-62)110-60-37(68-21(4)85)46(95)52(30(13-77)102-60)108-58-35(66-19(2)83)44(93)43(92)28(11-75)100-58/h9,26-64,74-81,90-99H,10-17H2,1-8H3,(H,65,82)(H,66,83)(H,67,84)(H,68,85)(H,69,86)(H,70,87)(H,71,88)(H,72,89)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62-,63-,64-/m0/s1
    • InChI Key： XAXRGODYJZBICA-XEQPMRAWSA-N
    • SMILES： O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](C=O)NC(=O)C)O[C@@H]2CO)O[C@@H]1CO)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(=O)C)[C@H](O)[C@H]4NC(=O)C)[C@H](O)[C@H]3NC(=O)C)[C@H](O)[C@H]2NC(=O)C)[C@H](O)[C@H]1NC(=O)C

Computed Properties

  • Exact Mass: 1642.646
  • Monoisotopic Mass: 1642.646
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 39
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 63.3

3-Amino-2,6-difluorobenzoic acid Security Information

  • WGK Germany：3
  • Storage Condition：?20°C

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