4-[(4-fluorophenyl)carbamoyl]phenylboronic acid

4-[(4-fluorophenyl)carbamoyl]phenylboronic acid

CAS: 850568-27-3

Formula: C13H11BFNO3

SMILES: OB(O)C1=CC=C(C=C1)C(=O)NC1=CC=C(F)C=C1

IUPAC: {4-[(4-fluorophenyl)carbamoyl]phenyl}boronic acid

InChI: InChI=1S/C13H11BFNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17)

Composition: C (60.28%), H (4.28%), B (4.17%), F (7.33%), N (5.41%), O (18.53%)

Molar Mass: 259.04

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	259.081601
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	HIHZUEQBMMAFSA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.35
Topological Polar Surface Area	69.56
Polarizability	25.82
Ring Count	2
Rotatable Bond Count	3

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