Cas no 35959-01-4 (1,4-dichloro-2-fluorobenzene)

1,4-dichloro-2-fluorobenzene structure
1,4-dichloro-2-fluorobenzene structure
Product Name:1,4-dichloro-2-fluorobenzene
CAS No:35959-01-4
MF:C32H48O5
MW:512.720530509949
CID:920850
PubChem ID:234102
Update Time:2025-04-19

1,4-dichloro-2-fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,4-dichloro-2-fluorobenzene
    • (1R)-1-< (3aR,5R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethylfuro< 2,3-d> -1,3-dioxol-5-yl> -1,2-ethanediol 6-acetate
    • 11-oxo acetyl ursolic acid
    • 11-oxo-3O-acetylursolic acid
    • 11-oxo-ursolic acid acetate
    • 3-acetyl-11-keto-ursolic acid
    • 3-O-Acetyl-1,2-O-isopropylidene-
    • 3-O-acetyl-11-oxoursolic acid
    • A-D-glucofuranose
    • AG-E-74493
    • CTK8F5163
    • (1S,2R,4AS,6AS,6BR,8AR,10S,12AS,12BR,14BS)-10-(ACETYLOXY)-1,2,6A,6B,9,9,12A-HEPTAMETHYL-13-OXO-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID
    • PD181222
    • BDBM50307109
    • HY-N12161
    • 2JV36G5X6D
    • DTXSID80957366
    • (3beta)-3-(Acetyloxy)-11-oxours-12-en-28-oic acid
    • CHEBI:192396
    • Urs-12-en-28-oic acid, 3beta-hydroxy-11-oxo-, acetate
    • NSC-33403
    • AKOS016036264
    • Urs-12-en-28-oic acid, 3-(acetyloxy)-11-oxo-, (3beta)-
    • CHEMBL601891
    • 35959-01-4
    • 11-OXOURSOLIC ACID ACETATE
    • CS-0892617
    • (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
    • 3-(Acetyloxy)-11-oxours-12-en-28-oic acid
    • NSC33403
    • (1S,2R,4aS,6aS,6aS,6bR,8aS,10S,12aS,14bR)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
    • DA-59468
    • Inchi： 1S/C32H48O5/c1-18-9-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)17-22(34)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23+,24+,25+,26-,29+,30-,31-,32+/m1/s1
    • InChI Key： XDHCWTUZCOFKRH-CIKBGXLUSA-N
    • SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CC[C@@H](C)[C@H](C)[C@H]4C3=CC([C@@H]12)=O

Computed Properties

  • Exact Mass: 163.95969
  • Monoisotopic Mass: 512.35017463g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 3
  • Complexity: 1060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.9
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • PSA: 0
  • LogP: 6.83930

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