2-(2-cyanoeth-1-en-1-yl)phenylboronic acid

2-(2-cyanoeth-1-en-1-yl)phenylboronic acid

Formula: C9H8BNO2

SMILES: OB(O)C1=CC=CC=C1C=CC#N

IUPAC: [2-(2-cyanoeth-1-en-1-yl)phenyl]boronic acid

InChI: InChI=1S/C9H8BNO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,12-13H

Composition: C (62.49%), H (4.66%), B (6.25%), N (8.10%), O (18.50%)

Molar Mass: 172.98

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.064809
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IBOPZLYQFBLSRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.58
Topological Polar Surface Area	64.25
Polarizability	18.65
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H8BNO2		Quote Only