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87846-94-4 | 5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, methyl ester
CAS No: 87846-94-4 Catalog No: AG004JFT MDL No:
Product Description
Catalog Number:
AG004JFT
Chemical Name:
5-Pyrimidinecarboxylic acid, 2,4,6-trichloro-, methyl ester
CAS Number:
87846-94-4
Molecular Formula:
C6H3Cl3N2O2
Molecular Weight:
241.4592
IUPAC Name:
methyl 2,4,6-trichloropyrimidine-5-carboxylate
InChI:
InChI=1S/C6H3Cl3N2O2/c1-13-5(12)2-3(7)10-6(9)11-4(2)8/h1H3
InChI Key:
QQYFJQHMJIBLKL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)nc(nc1Cl)Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.926g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.452g/mol
Monoisotopic Mass:
239.926g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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