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Home > Aldehydes > 282523-36-8
282523-36-8 | 5-(3-CHLOROPHENOXY)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 282523-36-8 Catalog No: AG00BCOA MDL No:MFCD00243688
Product Description
Catalog Number:
AG00BCOA
Chemical Name:
5-(3-CHLOROPHENOXY)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
282523-36-8
Molecular Formula:
C12H8ClF3N2O2
Molecular Weight:
304.6523
MDL Number:
MFCD00243688
IUPAC Name:
5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H8ClF3N2O2/c1-18-11(20-8-4-2-3-7(13)5-8)9(6-19)10(17-18)12(14,15)16/h2-6H,1H3
InChI Key:
YWARXIFXZIXZNJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Oc2cccc(c2)Cl)n(nc1C(F)(F)F)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.023g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.653g/mol
Monoisotopic Mass:
304.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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