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1284219-94-8 | 4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS No: 1284219-94-8 Catalog No: AG01AFQH MDL No:MFCD12548026
Product Description
Catalog Number:
AG01AFQH
Chemical Name:
4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1284219-94-8
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD12548026
IUPAC Name:
4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H5F3N2O/c1-3-4(2-12)10-11-5(3)6(7,8)9/h2H,1H3,(H,10,11)
InChI Key:
XCMQUYJMNQEMMK-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]nc(c1C)C(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:
1
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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