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Home > Aldehydes > 898289-61-7
898289-61-7 | Benzaldehyde,2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS No: 898289-61-7 Catalog No: AG0086EF MDL No:MFCD09817510
Product Description
Catalog Number:
AG0086EF
Chemical Name:
Benzaldehyde,2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
CAS Number:
898289-61-7
Molecular Formula:
C12H9F3N2O
Molecular Weight:
254.2079
MDL Number:
MFCD09817510
IUPAC Name:
2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzaldehyde
InChI:
InChI=1S/C12H9F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-7H,1H3
InChI Key:
STBRCNYURIXHAU-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1cc(nn1C)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.212g/mol
Monoisotopic Mass:
254.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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