Cas no 874219-22-4 (3-(Benzylcarbamoyl)-4-fluorophenylboronic acid)

3-(Benzylcarbamoyl)-4-fluorophenylboronic acid structure
874219-22-4 structure
Product Name:3-(Benzylcarbamoyl)-4-fluorophenylboronic acid
CAS No:874219-22-4
MF:C14H13BFNO3
MW:273.067327260971
MDL:MFCD08235041
CID:720673
PubChem ID:44717583
Update Time:2025-04-19

3-(Benzylcarbamoyl)-4-fluorophenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-(Benzylcarbamoyl)-4-fluorophenyl)boronic acid
    • 3-Benzylcarbamoyl-4-fluorobenzeneboronic acid
    • [3-(benzylcarbamoyl)-4-fluoro-phenyl]boronic acid
    • [3-(benzylcarbamoyl)-4-fluorophenyl]boronic acid
    • 3-(Benzylcarbamoyl)-4-fluorobenzeneboronic acid
    • 3-(Benzylcarbamoyl)-4-fluorophenylboronic acid
    • Boronic acid,B-[4-fluoro-3-[[(phenylmethyl)amino]carbonyl]phenyl]-
    • AKOS015839369
    • [4-fluoranyl-3-[(phenylmethyl)carbamoyl]phenyl]boronic acid
    • (3-(Benzylcarbamoyl)-4-fluorophenyl)boronicacid
    • UQDRNEMSUVDKAT-UHFFFAOYSA-N
    • SCHEMBL16033805
    • MFCD08235041
    • A842139
    • BS-24047
    • DTXSID30660232
    • H11671
    • 874219-22-4
    • [4-fluoro-3-[oxo-[(phenylmethyl)amino]methyl]phenyl]boronic acid
    • 3-(benzylcarbamoyl)-4-fluorophenyl boronic acid
    • MDL: MFCD08235041
    • Inchi: 1S/C14H13BFNO3/c16-13-7-6-11(15(19)20)8-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)
    • InChI Key: UQDRNEMSUVDKAT-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(B(O)O)C=C1C(NCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 273.09700
  • Monoisotopic Mass: 273.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 324
  • 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
  • Topological Polar Surface Area: 69.6A^2

Experimental Properties

  • Density: 1.3
  • Melting Point: 237-239
  • Refractive Index: 1.595
  • PSA: 69.56000
  • LogP: 0.82640

3-(Benzylcarbamoyl)-4-fluorophenylboronic acid Security Information

  • Hazard Statement: Irritant/Keep Cold
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep cold

3-(Benzylcarbamoyl)-4-fluorophenylboronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

3-(Benzylcarbamoyl)-4-fluorophenylboronic acid Pricemore >>

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