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127437-44-9 | 2,3-Pyridinedicarboxylic acid, 6-chloro-
CAS No: 127437-44-9 Catalog No: AG000X2C MDL No:MFCD13689014
Product Description
Catalog Number:
AG000X2C
Chemical Name:
2,3-Pyridinedicarboxylic acid, 6-chloro-
CAS Number:
127437-44-9
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD13689014
IUPAC Name:
6-chloropyridine-2,3-dicarboxylic acid
InChI:
InChI=1S/C7H4ClNO4/c8-4-2-1-3(6(10)11)5(9-4)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChI Key:
UZSYXDLIFFSYNQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Cl)ccc1C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.562g/mol
Monoisotopic Mass:
200.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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