Home Halogens 4-chloropyridine-2,5-dicarboxylic acid

4-chloropyridine-2,5-dicarboxylic acid

CAS No.:
1227945-07-4
Catalog Number:
AG01C7C8
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
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Product Description
Catalog Number:
AG01C7C8
Chemical Name:
4-chloropyridine-2,5-dicarboxylic acid
CAS Number:
1227945-07-4
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD18250759
IUPAC Name:
4-chloropyridine-2,5-dicarboxylic acid
InChI:
InChI=1S/C7H4ClNO4/c8-4-1-5(7(12)13)9-2-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13)
InChI Key:
KXNBJIIPZFBSPA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(c(c1)Cl)C(=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:
0.9  
Properties