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76574-50-0 | 5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)-
CAS No: 76574-50-0 Catalog No: AG005WYP MDL No:
Product Description
Catalog Number:
AG005WYP
Chemical Name:
5-Pyrimidinecarboxaldehyde,4-amino-2-(trifluoromethyl)-
CAS Number:
76574-50-0
Molecular Formula:
C6H4F3N3O
Molecular Weight:
191.1107
IUPAC Name:
4-amino-2-(trifluoromethyl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-13)4(10)12-5/h1-2H,(H2,10,11,12)
InChI Key:
CCUCOUJCNASVHL-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1N)C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.113g/mol
Monoisotopic Mass:
191.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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