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13300-63-5 | Benzoic acid, 3,4-dichloro-5-nitro-
CAS No: 13300-63-5 Catalog No: AG0011IQ MDL No:MFCD03988524
Product Description
Catalog Number:
AG0011IQ
Chemical Name:
Benzoic acid, 3,4-dichloro-5-nitro-
CAS Number:
13300-63-5
Molecular Formula:
C7H3Cl2NO4
Molecular Weight:
236.0090
MDL Number:
MFCD03988524
IUPAC Name:
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)
InChI Key:
QKFNYXRBTKWJQW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)Cl)C(=O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.944g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.004g/mol
Monoisotopic Mass:
234.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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