5-bromo-N-methyl-2-nitroaniline

5-bromo-N-methyl-2-nitroaniline

CAS: 302800-13-1

Formula: C7H7BrN2O2

SMILES: CNC1=CC(Br)=CC=C1[N+]([O-])=O

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

InChI: InChI=1S/C7H7BrN2O2/c1-9-6-4-5(8)2-3-7(6)10(11)12/h2-4,9H,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	FTVGSRGPTYFWRQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.2
Topological Polar Surface Area	55.17
Polarizability	18.16
Ring Count	1
Rotatable Bond Count	2

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