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Home > Aldehydes > 304693-66-1
304693-66-1 | 5-Pyrimidinecarboxaldehyde, 2-(trifluoromethyl)-
CAS No: 304693-66-1 Catalog No: AG00308M MDL No:MFCD08752498
Product Description
Catalog Number:
AG00308M
Chemical Name:
5-Pyrimidinecarboxaldehyde, 2-(trifluoromethyl)-
CAS Number:
304693-66-1
Molecular Formula:
C6H3F3N2O
Molecular Weight:
176.0960
MDL Number:
MFCD08752498
IUPAC Name:
2-(trifluoromethyl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C6H3F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-3H
InChI Key:
GAUDQBASERVUGM-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)C(F)(F)F
Properties
Complexity:
163
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:
0.6
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