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Home > Aldehydes > 1333222-14-2
1333222-14-2 | 2-Pyrimidinecarboxaldehyde, 4-(trifluoromethyl)-
CAS No: 1333222-14-2 Catalog No: AG0014M0 MDL No:
Product Description
Catalog Number:
AG0014M0
Chemical Name:
2-Pyrimidinecarboxaldehyde, 4-(trifluoromethyl)-
CAS Number:
1333222-14-2
Molecular Formula:
C6H3F3N2O
Molecular Weight:
176.0960
IUPAC Name:
4-(trifluoromethyl)pyrimidine-2-carbaldehyde
InChI:
InChI=1S/C6H3F3N2O/c7-6(8,9)4-1-2-10-5(3-12)11-4/h1-3H
InChI Key:
HXJFWTMHUWQNEO-UHFFFAOYSA-N
SMILES:
O=Cc1nccc(n1)C(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.098g/mol
Monoisotopic Mass:
176.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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