2-hydroxy-2-(2-nitrophenyl)acetonitrile

2-hydroxy-2-(2-nitrophenyl)acetonitrile

CAS: 13312-81-7

Formula: C8H6N2O3

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

IUPAC: 2-hydroxy-2-(2-nitrophenyl)acetonitrile

InChI: InChI=1/C8H6N2O3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4,8,11H

Composition: C (53.94%), H (3.39%), N (15.73%), O (26.94%)

Molar Mass: 178.147

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	178.037842061
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YIBWLYSNBNNELO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44
Topological Polar Surface Area	87.16
Polarizability	16.41
Ring Count	1
Rotatable Bond Count	2

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