3-bromo-4-nitrobenzonitrile

3-bromo-4-nitrobenzonitrile

CAS: 102000-73-7

Formula: C7H3BrN2O2

SMILES: [O-][N+](=O)C1=CC=C(C=C1Br)C#N

IUPAC: 3-bromo-4-nitrobenzonitrile

InChI: InChI=1S/C7H3BrN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H

Composition: C (37.04%), H (1.33%), Br (35.20%), N (12.34%), O (14.09%)

Molar Mass: 227.017

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.93779
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RNDBDEZITHKFEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.72
Topological Polar Surface Area	66.93
Polarizability	17.07
Ring Count	1
Rotatable Bond Count	1

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