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87848-01-9 | 5-Pyrimidinecarboxamide, 2,4,6-trichloro-N-[2-(1-methylethyl)phenyl]-
CAS No: 87848-01-9 Catalog No: AG004JFN MDL No:
Product Description
Catalog Number:
AG004JFN
Chemical Name:
5-Pyrimidinecarboxamide, 2,4,6-trichloro-N-[2-(1-methylethyl)phenyl]-
CAS Number:
87848-01-9
Molecular Formula:
C14H12Cl3N3O
Molecular Weight:
344.6236
IUPAC Name:
2,4,6-trichloro-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
InChI:
InChI=1S/C14H12Cl3N3O/c1-7(2)8-5-3-4-6-9(8)18-13(21)10-11(15)19-14(17)20-12(10)16/h3-7H,1-2H3,(H,18,21)
InChI Key:
UNDRBCFIYJWMHZ-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c(c(n1)Cl)C(=O)Nc1ccccc1C(C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.62g/mol
Monoisotopic Mass:
343.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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