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87350-83-2 | 1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro-
CAS No: 87350-83-2 Catalog No: AG004HGI MDL No:
Product Description
Catalog Number:
AG004HGI
Chemical Name:
1,3-Benzenedicarboxylic acid, 2-chloro-5-nitro-
CAS Number:
87350-83-2
Molecular Formula:
C8H4ClNO6
Molecular Weight:
245.5735
IUPAC Name:
2-chloro-5-nitrobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H4ClNO6/c9-6-4(7(11)12)1-3(10(15)16)2-5(6)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
XGLIUBZHYDTOBN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)C(=O)O)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.973g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.571g/mol
Monoisotopic Mass:
244.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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