4-amino-2-bromo-5-nitrobenzoic acid

4-amino-2-bromo-5-nitrobenzoic acid

CAS: 860182-17-8

Formula: C7H5BrN2O4

SMILES: NC1=CC(Br)=C(C=C1[N+]([O-])=O)C(O)=O

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

InChI: InChI=1S/C7H5BrN2O4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,9H2,(H,11,12)

Composition: C (32.21%), H (1.93%), Br (30.61%), N (10.73%), O (24.52%)

Molar Mass: 261.031

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.94327
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	LHFYPZKFBRCWJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.96
Topological Polar Surface Area	106.46
Polarizability	18.92
Ring Count	1
Rotatable Bond Count	2

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