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16492-28-7 | 4-Pyrimidinecarboxylic acid, 2,6-dichloro-
CAS No: 16492-28-7 Catalog No: AG001V69 MDL No:MFCD02933142
Product Description
Catalog Number:
AG001V69
Chemical Name:
4-Pyrimidinecarboxylic acid, 2,6-dichloro-
CAS Number:
16492-28-7
Molecular Formula:
C5H2Cl2N2O2
Molecular Weight:
192.9876
MDL Number:
MFCD02933142
IUPAC Name:
2,6-dichloropyrimidine-4-carboxylic acid
InChI:
InChI=1S/C5H2Cl2N2O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11)
InChI Key:
MOXUTXQEKYPKKS-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)nc(c1)C(=O)O
NSC Number:
46804
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.983g/mol
Monoisotopic Mass:
191.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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