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

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

CAS: 1260783-57-0

Formula: C8H4BrClN2O2

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

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

InChI: InChI=1S/C8H4BrClN2O2/c9-6-3-5(1-2-11)8(12(13)14)4-7(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 MRLDVCNVLQLPIS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.09
Topological Polar Surface Area 66.93
Polarizability 20.73
Ring Count 1
Rotatable Bond Count 2

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