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88912-26-9 | 2,5-Dichloroisonicotinic acid
CAS No: 88912-26-9 Catalog No: AG003FXS MDL No:MFCD00466640
Product Description
Catalog Number:
AG003FXS
Chemical Name:
2,5-Dichloroisonicotinic acid
CAS Number:
88912-26-9
Molecular Formula:
C6H3Cl2NO2
Molecular Weight:
191.9995
MDL Number:
MFCD00466640
IUPAC Name:
2,5-dichloropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H3Cl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
InChI Key:
GFOVTTQVBDEYPP-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(c1)C(=O)O)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.954g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.995g/mol
Monoisotopic Mass:
190.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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