3-carbamoyl-4-chlorophenylboronic acid

3-carbamoyl-4-chlorophenylboronic acid

CAS: 871332-67-1

Formula: C7H7BClNO3

SMILES: NC(=O)C1=CC(=CC=C1Cl)B(O)O

IUPAC: (3-carbamoyl-4-chlorophenyl)boronic acid

InChI: InChI=1S/C7H7BClNO3/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H2,10,11)

Composition: C (42.17%), H (3.54%), B (5.42%), Cl (17.78%), N (7.02%), O (24.07%)

Molar Mass: 199.4

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.020751
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	PHYINASSDCHPRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.49
Topological Polar Surface Area	83.55
Polarizability	18.34
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	871332-67-1		$24.84-$350.87$24.84$36.23$89.01$350.87