2-amino-5-methoxy-3-nitrobenzoic acid

2-amino-5-methoxy-3-nitrobenzoic acid

Formula: C8H8N2O5

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

IUPAC: 2-amino-5-methoxy-3-nitrobenzoic acid

InChI: InChI=1S/C8H8N2O5/c1-15-4-2-5(8(11)12)7(9)6(3-4)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	ZCTUZOIFAUHVND-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

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
97%	<2 Days	C8H8N2O5		$483.00-$1,374.25$483.00$684.25$1,374.25