3,4-dichloro-5-nitrobenzoic acid

3,4-dichloro-5-nitrobenzoic acid

CAS: 13300-63-5

Formula: C7H3Cl2NO4

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

IUPAC: 3,4-dichloro-5-nitrobenzoic acid

InChI: InChI=1S/C7H3Cl2NO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,(H,11,12)

Composition: C (35.63%), H (1.28%), Cl (30.04%), N (5.94%), O (27.12%)

Molar Mass: 236

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.943913
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QKFNYXRBTKWJQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.24
Topological Polar Surface Area	80.44
Polarizability	18.69
Ring Count	1
Rotatable Bond Count	2

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