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101420-62-6 | 3,4-Pyridinedicarboxylic acid, 5-chloro-
CAS No: 101420-62-6 Catalog No: AG0004H4 MDL No:
Product Description
Catalog Number:
AG0004H4
Chemical Name:
3,4-Pyridinedicarboxylic acid, 5-chloro-
CAS Number:
101420-62-6
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
IUPAC Name:
5-chloropyridine-3,4-dicarboxylic acid
InChI:
InChI=1S/C7H4ClNO4/c8-4-2-9-1-3(6(10)11)5(4)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChI Key:
ZUGJYIOPGDYHRX-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)cncc1C(=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:
0.5
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