2-(4-bromo-5-chloro-2-nitrophenyl)acetonitrile

2-(4-bromo-5-chloro-2-nitrophenyl)acetonitrile

CAS: 1260675-18-0

Formula: C8H4BrClN2O2

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

IUPAC: 2-(4-bromo-5-chloro-2-nitrophenyl)acetonitrile

InChI: InChI=1S/C8H4BrClN2O2/c9-6-4-8(12(13)14)5(1-2-11)3-7(6)10/h3-4H,1H2

Composition: C (34.88%), H (1.46%), Br (29.00%), Cl (12.87%), N (10.17%), O (11.62%)

Molar Mass: 275.49

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	273.914468
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HAWMANZMXSVIBZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.09
Topological Polar Surface Area	66.93
Polarizability	20.74
Ring Count	1
Rotatable Bond Count	2

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