4-amino-2-nitrobenzoic acid

4-amino-2-nitrobenzoic acid

CAS: 610-36-6

Formula: C7H6N2O4

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

IUPAC: 4-amino-2-nitrobenzoic acid

InChI: InChI=1S/C7H6N2O4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,8H2,(H,10,11)

Composition: C (46.16%), H (3.32%), N (15.38%), O (35.14%)

Molar Mass: 182.135

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.032756681
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	SAJYSJVBNGUWJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.34
Topological Polar Surface Area	106.46
Polarizability	15.83
Ring Count	1
Rotatable Bond Count	2

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