4-cyano-2-nitrophenylboronic acid

4-cyano-2-nitrophenylboronic acid

CAS: 850568-46-6

Formula: C7H5BN2O4

SMILES: OB(O)C1=C(C=C(C=C1)C#N)[N+]([O-])=O

IUPAC: (4-cyano-2-nitrophenyl)boronic acid

InChI: InChI=1S/C7H5BN2O4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3,11-12H

Composition: C (43.80%), H (2.63%), B (5.63%), N (14.60%), O (33.34%)

Molar Mass: 191.94

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.034237
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YDIOTBNYNPBRFF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.65
Topological Polar Surface Area	107.39
Polarizability	17.33
Ring Count	1
Rotatable Bond Count	2

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
95%	<2 Days	850568-46-6		Quote Only