1-bromo-5-chloro-2-methyl-4-nitrobenzene

1-bromo-5-chloro-2-methyl-4-nitrobenzene

CAS: 40371-64-0

Formula: C7H5BrClNO2

SMILES: CC1=C(Br)C=C(Cl)C(=C1)[N+]([O-])=O

IUPAC: 1-bromo-5-chloro-2-methyl-4-nitrobenzene

InChI: InChI=1S/C7H5BrClNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

Composition: C (33.57%), H (2.01%), Br (31.90%), Cl (14.15%), N (5.59%), O (12.77%)

Molar Mass: 250.48

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.919219
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RTIUAGUGNIQCLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.85
Topological Polar Surface Area	43.14
Polarizability	18.94
Ring Count	1
Rotatable Bond Count	1

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