2-chloro-3-nitrobenzoic acid

2-chloro-3-nitrobenzoic acid

CAS: 3970-35-2

Formula: C7H4ClNO4

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

IUPAC: 2-chloro-3-nitrobenzoic acid

InChI: InChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)

Composition: C (41.71%), H (2.00%), Cl (17.59%), N (6.95%), O (31.75%)

Molar Mass: 201.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.9828853
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.44
Topological Polar Surface Area	80.44
Polarizability	16.68
Ring Count	1
Rotatable Bond Count	2

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