2-amino-4-chloro-6-nitrobenzoic acid

2-amino-4-chloro-6-nitrobenzoic acid

Formula: C7H5ClN2O4

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

IUPAC: 2-amino-4-chloro-6-nitrobenzoic acid

InChI: InChI=1S/C7H5ClN2O4/c8-3-1-4(9)6(7(11)12)5(2-3)10(13)14/h1-2H,9H2,(H,11,12)

Composition: C (38.82%), H (2.33%), Cl (16.37%), N (12.93%), O (29.55%)

Molar Mass: 216.58

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.9937843
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	IOGKCOVROQWRCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.14
Topological Polar Surface Area	106.46
Polarizability	17.82
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C7H5ClN2O4		Quote Only