1-bromo-2-chloro-3-nitrobenzene

1-bromo-2-chloro-3-nitrobenzene

CAS: 3970-37-4

Formula: C6H3BrClNO2

SMILES: [O-][N+](=O)C1=CC=CC(Br)=C1Cl

IUPAC: 1-bromo-2-chloro-3-nitrobenzene

InChI: InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H

Composition: C (30.48%), H (1.28%), Br (33.79%), Cl (14.99%), N (5.92%), O (13.53%)

Molar Mass: 236.45

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.903569
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JNIDAGAFFKAPRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.81
Topological Polar Surface Area	43.14
Polarizability	17.23
Ring Count	1
Rotatable Bond Count	1

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