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Home > Aldehydes > 158712-22-2
158712-22-2 | 1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 158712-22-2 Catalog No: AG00ACSH MDL No:MFCD00243685
Product Description
Catalog Number:
AG00ACSH
Chemical Name:
1-METHYL-3-(TRIFLUOROMETHYL)-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
158712-22-2
Molecular Formula:
C13H8F6N2O2
Molecular Weight:
338.2052
MDL Number:
MFCD00243685
IUPAC Name:
1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H8F6N2O2/c1-21-11(9(6-22)10(20-21)13(17,18)19)23-8-4-2-3-7(5-8)12(14,15)16/h2-6H,1H3
InChI Key:
LVCVIYROIVOGBN-UHFFFAOYSA-N
SMILES:
O=Cc1c(Oc2cccc(c2)C(F)(F)F)n(nc1C(F)(F)F)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.049g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.209g/mol
Monoisotopic Mass:
338.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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