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Home > Aldehydes > 1414962-92-7
1414962-92-7 | 1H-Pyrazole-5-carboxaldehyde, 1-methyl-3-(trifluoromethyl)-
CAS No: 1414962-92-7 Catalog No: AG001GHR MDL No:MFCD22398340
Product Description
Catalog Number:
AG001GHR
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-methyl-3-(trifluoromethyl)-
CAS Number:
1414962-92-7
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD22398340
IUPAC Name:
2-methyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O/c1-11-4(3-12)2-5(10-11)6(7,8)9/h2-3H,1H3
InChI Key:
CADUHCIARDLTEA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1C)C(F)(F)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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