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Home > Aldehydes > 497833-04-2
497833-04-2 | 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS No: 497833-04-2 Catalog No: AG006Y40 MDL No:MFCD11707230
Product Description
Catalog Number:
AG006Y40
Chemical Name:
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
497833-04-2
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD11707230
IUPAC Name:
1-methyl-5-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O/c1-11-5(6(7,8)9)4(3-12)2-10-11/h2-3H,1H3
InChI Key:
UPFJYPJGFYQTRE-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1C(F)(F)F)C
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:
0.6
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