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Home > Fluorides > 1269293-10-8
1269293-10-8 | 1H-Pyrazole, 1-(4-methylphenyl)-5-(trifluoromethyl)-
CAS No: 1269293-10-8 Catalog No: AG000TJW MDL No:MFCD06798084
Product Description
Catalog Number:
AG000TJW
Chemical Name:
1H-Pyrazole, 1-(4-methylphenyl)-5-(trifluoromethyl)-
CAS Number:
1269293-10-8
Molecular Formula:
C11H9F3N2
Molecular Weight:
226.1978
MDL Number:
MFCD06798084
IUPAC Name:
1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C11H9F3N2/c1-8-2-4-9(5-3-8)16-10(6-7-15-16)11(12,13)14/h2-7H,1H3
InChI Key:
GBIAGVVKHIFDCW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1nccc1C(F)(F)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.202g/mol
Monoisotopic Mass:
226.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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