4-amino-3-methoxy-5-nitrobenzoic acid

4-amino-3-methoxy-5-nitrobenzoic acid

CAS: 1260657-84-8

Formula: C8H8N2O5

SMILES: COC1=C(N)C(=CC(=C1)C(O)=O)[N+]([O-])=O

IUPAC: 4-amino-3-methoxy-5-nitrobenzoic acid

InChI: InChI=1S/C8H8N2O5/c1-15-6-3-4(8(11)12)2-5(7(6)9)10(13)14/h2-3H,9H2,1H3,(H,11,12)

Composition: C (45.29%), H (3.80%), N (13.20%), O (37.70%)

Molar Mass: 212.161

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.043321366
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	IJWXHFVCOCMQAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.8
Topological Polar Surface Area	115.69
Polarizability	18.39
Ring Count	1
Rotatable Bond Count	3

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