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188740-00-3 | 5-Pyrimidinecarboxamide, 4-(chlorodifluoromethyl)-
CAS No: 188740-00-3 Catalog No: AG002H8O MDL No:
Product Description
Catalog Number:
AG002H8O
Chemical Name:
5-Pyrimidinecarboxamide, 4-(chlorodifluoromethyl)-
CAS Number:
188740-00-3
Molecular Formula:
C6H4ClF2N3O
Molecular Weight:
207.5653
IUPAC Name:
4-[chloro(difluoro)methyl]pyrimidine-5-carboxamide
InChI:
InChI=1S/C6H4ClF2N3O/c7-6(8,9)4-3(5(10)13)1-11-2-12-4/h1-2H,(H2,10,13)
InChI Key:
YGQZPJQLFNFYDL-UHFFFAOYSA-N
SMILES:
NC(=O)c1cncnc1C(Cl)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.001g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.565g/mol
Monoisotopic Mass:
207.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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