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Home > Aldehydes > 1216529-33-7
1216529-33-7 | 1,5-Dimethyl-4-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde
CAS No: 1216529-33-7 Catalog No: AG01ER1H MDL No:
Product Description
Catalog Number:
AG01ER1H
Chemical Name:
1,5-Dimethyl-4-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde
CAS Number:
1216529-33-7
Molecular Formula:
C7H7F3N2O
Molecular Weight:
192.1385
IUPAC Name:
1,5-dimethyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C7H7F3N2O/c1-4-6(7(8,9)10)5(3-13)11-12(4)2/h3H,1-2H3
InChI Key:
WFRDWGJXNZVNDT-UHFFFAOYSA-N
SMILES:
O=Cc1nn(c(c1C(F)(F)F)C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.141g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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