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Home > Boronic Acids > 874288-19-4
874288-19-4 | 3-(4-fluorobenzylcarbamoyl)phenylboronic acid
CAS No: 874288-19-4 Catalog No: AG01FNS7 MDL No:
Product Description
Catalog Number:
AG01FNS7
Chemical Name:
3-(4-fluorobenzylcarbamoyl)phenylboronic acid
CAS Number:
874288-19-4
Molecular Formula:
C14H13BFNO3
Molecular Weight:
273.0673
IUPAC Name:
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H13BFNO3/c16-13-6-4-10(5-7-13)9-17-14(18)11-2-1-3-12(8-11)15(19)20/h1-8,19-20H,9H2,(H,17,18)
InChI Key:
BUQIGZOWJOLSAN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.07g/mol
Monoisotopic Mass:
273.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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