Cas no 105003-93-8 ((2-Fluoro-6-nitrophenyl)-acetonitrile)

(2-Fluoro-6-nitrophenyl)-acetonitrile structure
105003-93-8 structure
Product Name:(2-Fluoro-6-nitrophenyl)-acetonitrile
CAS No:105003-93-8
MF:C8H5FN2O2
MW:180.13590502739
CID:2197115
PubChem ID:13581391
Update Time:2025-04-21

(2-Fluoro-6-nitrophenyl)-acetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile, 2-fluoro-6-nitro-
    • 6-fluoro-2-nitrophenylacetonotrile
    • (2-FLUORO-6-NITROPHENYL)-ACETONITRILE
    • 6-Fluoro-2-nitrobenzyl cyanide
    • SCHEMBL4691140
    • 105003-93-8
    • MFCD11846360
    • KLWFTTRSKJXYMM-UHFFFAOYSA-N
    • EN300-1829460
    • 2-Fluoro-6-nitrophenylacetonitrile
    • 2-(2-fluoro-6-nitrophenyl)acetonitrile
    • AT11180
    • CS-0305718
    • DB-342256
    • (2-Fluoro-6-nitrophenyl)-acetonitrile
    • Inchi： 1S/C8H5FN2O2/c9-7-2-1-3-8(11(12)13)6(7)4-5-10/h1-3H,4H2
    • InChI Key： KLWFTTRSKJXYMM-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(=C1CC#N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 180.03400
  • Monoisotopic Mass: 180.03350557Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • PSA: 69.61000
  • LogP: 2.32318

(2-Fluoro-6-nitrophenyl)-acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Apollo Scientific
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 ￡66.00 2025-02-21
Apollo Scientific
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Apollo Scientific
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Enamine
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Enamine
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Enamine
EN300-1829460-0.25g
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Enamine
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