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Home > Aldehydes > 128455-62-9
128455-62-9 | 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-(trifluoromethyl)-
CAS No: 128455-62-9 Catalog No: AG000Y3S MDL No:MFCD00068130
Product Description
Catalog Number:
AG000Y3S
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-3-(trifluoromethyl)-
CAS Number:
128455-62-9
Molecular Formula:
C6H4ClF3N2O
Molecular Weight:
212.5570
MDL Number:
MFCD00068130
IUPAC Name:
5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H4ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h2H,1H3
InChI Key:
PZOZNOVIRZSNHJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)n(nc1C(F)(F)F)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.556g/mol
Monoisotopic Mass:
211.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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