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Home > Fluorides > 1269292-21-8
1269292-21-8 | 1H-Pyrazole, 1-(3-fluorophenyl)-5-(trifluoromethyl)-
CAS No: 1269292-21-8 Catalog No: AG000TJO MDL No:MFCD20275401
Product Description
Catalog Number:
AG000TJO
Chemical Name:
1H-Pyrazole, 1-(3-fluorophenyl)-5-(trifluoromethyl)-
CAS Number:
1269292-21-8
Molecular Formula:
C10H6F4N2
Molecular Weight:
230.1617
MDL Number:
MFCD20275401
IUPAC Name:
1-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C10H6F4N2/c11-7-2-1-3-8(6-7)16-9(4-5-15-16)10(12,13)14/h1-6H
InChI Key:
WRLZROKPJIFPRS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)n1nccc1C(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.166g/mol
Monoisotopic Mass:
230.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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