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1260658-95-4 | 1H-Pyrazole, 3-(chloromethyl)-1-(2,2,2-trifluoroethyl)-
CAS No: 1260658-95-4 Catalog No: AG000QZX MDL No:MFCD15976764
Product Description
Catalog Number:
AG000QZX
Chemical Name:
1H-Pyrazole, 3-(chloromethyl)-1-(2,2,2-trifluoroethyl)-
CAS Number:
1260658-95-4
Molecular Formula:
C6H6ClF3N2
Molecular Weight:
198.5734
MDL Number:
MFCD15976764
IUPAC Name:
3-(chloromethyl)-1-(2,2,2-trifluoroethyl)pyrazole
InChI:
InChI=1S/C6H6ClF3N2/c7-3-5-1-2-12(11-5)4-6(8,9)10/h1-2H,3-4H2
InChI Key:
BKOWHECXKSAYNB-UHFFFAOYSA-N
SMILES:
ClCc1ccn(n1)CC(F)(F)F
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.573g/mol
Monoisotopic Mass:
198.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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