5-bromo-2-methyl-3-nitroaniline

5-bromo-2-methyl-3-nitroaniline

CAS: 864550-40-3

Formula: C7H7BrN2O2

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

IUPAC: 5-bromo-2-methyl-3-nitroaniline

InChI: InChI=1S/C7H7BrN2O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,9H2,1H3

Composition: C (36.39%), H (3.05%), Br (34.58%), N (12.12%), O (13.85%)

Molar Mass: 231.049

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.96909
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OOKFCQHMHNKVKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.74
Topological Polar Surface Area	69.16
Polarizability	18.09
Ring Count	1
Rotatable Bond Count	1

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