3-chloropyridin-4-ylboronic acid

3-chloropyridin-4-ylboronic acid

CAS: 458532-98-4

Formula: C5H5BClNO2

SMILES: OB(O)C1=C(Cl)C=NC=C1

IUPAC: (3-chloropyridin-4-yl)boronic acid

InChI: InChI=1S/C5H5BClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3,9-10H

Composition: C (38.16%), H (3.20%), B (6.87%), Cl (22.53%), N (8.90%), O (20.33%)

Molar Mass: 157.36

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	157.010186
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JLIHQPWLAOYTRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.25
Topological Polar Surface Area	53.35
Polarizability	14.59
Ring Count	1
Rotatable Bond Count	1

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