4-bromo-5-methoxy-2-nitrobenzoic acid

4-bromo-5-methoxy-2-nitrobenzoic acid

CAS: 1527490-64-7

Formula: C8H6BrNO5

SMILES: COC1=CC(C(O)=O)=C(C=C1Br)[N+]([O-])=O

IUPAC: 4-bromo-5-methoxy-2-nitrobenzoic acid

InChI: InChI=1S/C8H6BrNO5/c1-15-7-2-4(8(11)12)6(10(13)14)3-5(7)9/h2-3H,1H3,(H,11,12)

Composition: C (34.81%), H (2.19%), Br (28.95%), N (5.07%), O (28.98%)

Molar Mass: 276.042

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.942935
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	GDRXHJGZRSVCBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.72
Topological Polar Surface Area	89.67
Polarizability	20.31
Ring Count	1
Rotatable Bond Count	3

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