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Home > Aldehydes > 179732-64-0
179732-64-0 | 1H-Pyrazole-4-carboxaldehyde, 5-hydroxy-1-methyl-3-(trifluoromethyl)-
CAS No: 179732-64-0 Catalog No: AG00278S MDL No:MFCD12827694
Product Description
Catalog Number:
AG00278S
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 5-hydroxy-1-methyl-3-(trifluoromethyl)-
CAS Number:
179732-64-0
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD12827694
IUPAC Name:
2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O2/c1-11-5(13)3(2-12)4(10-11)6(7,8)9/h2,10H,1H3
InChI Key:
DHVRPQMAMMGYLA-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)n(nc1C(F)(F)F)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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