4-bromo-5-methoxy-N-methyl-2-nitroaniline

4-bromo-5-methoxy-N-methyl-2-nitroaniline

CAS: 2243949-98-4

Formula: C8H9BrN2O3

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

IUPAC: 4-bromo-5-methoxy-N-methyl-2-nitroaniline

InChI: InChI=1S/C8H9BrN2O3/c1-10-6-4-8(14-2)5(9)3-7(6)11(12)13/h3-4,10H,1-2H3

Composition: C (36.80%), H (3.47%), Br (30.61%), N (10.73%), O (18.38%)

Molar Mass: 261.075

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.979655
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DHBJPMQTSSMDEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.66
Topological Polar Surface Area	64.4
Polarizability	20.73
Ring Count	1
Rotatable Bond Count	3

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