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13049-16-6 | 1,3-Benzenedicarboxylic acid, 2-chloro-
CAS No: 13049-16-6 Catalog No: AG000UHW MDL No:MFCD00156972
Product Description
Catalog Number:
AG000UHW
Chemical Name:
1,3-Benzenedicarboxylic acid, 2-chloro-
CAS Number:
13049-16-6
Molecular Formula:
C8H5ClO4
Molecular Weight:
200.5759
MDL Number:
MFCD00156972
IUPAC Name:
2-chlorobenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H5ClO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
NJKVZDOEWYNQIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Cl)C(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.988g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.574g/mol
Monoisotopic Mass:
199.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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