4-cyanophenylboronic acid

4-cyanophenylboronic acid

CAS: 126747-14-6

Formula: C7H6BNO2

SMILES: OB(O)C1=CC=C(C=C1)C#N

IUPAC: (4-cyanophenyl)boronic acid

InChI: InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H

Composition: C (57.22%), H (4.12%), B (7.36%), N (9.53%), O (21.78%)

Molar Mass: 146.94

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	147.049158
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CEBAHYWORUOILU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.33
Topological Polar Surface Area	64.25
Polarizability	15.36
Ring Count	1
Rotatable Bond Count	1

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