1-bromo-4-methyl-2-nitrobenzene

1-bromo-4-methyl-2-nitrobenzene

CAS: 5326-34-1

Formula: C7H6BrNO2

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

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

InChI: InChI=1S/C7H6BrNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.958191
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UPBUTKQMDPHQAQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.04
Topological Polar Surface Area	43.14
Polarizability	16.92
Ring Count	1
Rotatable Bond Count	1

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