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150022-94-9 | 2,3-Pyridinedicarboxylic acid, 5-(chloromethyl)-
CAS No: 150022-94-9 Catalog No: AG001M98 MDL No:
Product Description
Catalog Number:
AG001M98
Chemical Name:
2,3-Pyridinedicarboxylic acid, 5-(chloromethyl)-
CAS Number:
150022-94-9
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
IUPAC Name:
5-(chloromethyl)pyridine-2,3-dicarboxylic acid
InChI:
InChI=1S/C8H6ClNO4/c9-2-4-1-5(7(11)12)6(8(13)14)10-3-4/h1,3H,2H2,(H,11,12)(H,13,14)
InChI Key:
JBKRIODDVXLROM-UHFFFAOYSA-N
SMILES:
ClCc1cnc(c(c1)C(=O)O)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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