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Home > Aldehydes > 1780459-24-6
1780459-24-6 | 1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS No: 1780459-24-6 Catalog No: AG01B63U MDL No:MFCD26518971
Product Description
Catalog Number:
AG01B63U
Chemical Name:
1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1780459-24-6
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD26518971
IUPAC Name:
2-methyl-4-(trifluoromethyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O/c1-11-5(3-12)4(2-10-11)6(7,8)9/h2-3H,1H3
InChI Key:
ATRPJWRNBBALOG-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ncc1C(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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