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87847-99-2 | 5-Pyrimidinecarboxamide, 2,4,6-trichloro-N-(3-methoxyphenyl)-
CAS No: 87847-99-2 Catalog No: AG004JFO MDL No:
Product Description
Catalog Number:
AG004JFO
Chemical Name:
5-Pyrimidinecarboxamide, 2,4,6-trichloro-N-(3-methoxyphenyl)-
CAS Number:
87847-99-2
Molecular Formula:
C12H8Cl3N3O2
Molecular Weight:
332.5698
IUPAC Name:
2,4,6-trichloro-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
InChI:
InChI=1S/C12H8Cl3N3O2/c1-20-7-4-2-3-6(5-7)16-11(19)8-9(13)17-12(15)18-10(8)14/h2-5H,1H3,(H,16,19)
InChI Key:
XJBYOGWEVKWYEV-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)c1c(Cl)nc(nc1Cl)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.968g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.565g/mol
Monoisotopic Mass:
330.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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