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19861-62-2 | Benzoic acid, 2,4-dichloro-5-nitro-
CAS No: 19861-62-2 Catalog No: AG002BN8 MDL No:MFCD00456403
Product Description
Catalog Number:
AG002BN8
Chemical Name:
Benzoic acid, 2,4-dichloro-5-nitro-
CAS Number:
19861-62-2
Molecular Formula:
C7H3Cl2NO4
Molecular Weight:
236.0090
MDL Number:
MFCD00456403
IUPAC Name:
2,4-dichloro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H3Cl2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
TXZVRLLCMSPNOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1Cl)Cl
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:
2.4
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