4-bromo-2-methoxy-5-nitroaniline

4-bromo-2-methoxy-5-nitroaniline

CAS: 1421371-97-2

Formula: C7H7BrN2O3

SMILES: COC1=CC(Br)=C(C=C1N)[N+]([O-])=O

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

InChI: InChI=1S/C7H7BrN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3

Composition: C (34.03%), H (2.86%), Br (32.34%), N (11.34%), O (19.43%)

Molar Mass: 247.048

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.964005
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AASIUWXCQAIDKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.16
Topological Polar Surface Area	78.39
Polarizability	18.94
Ring Count	1
Rotatable Bond Count	2

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