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1245619-64-0 | 5-(3-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole
CAS No: 1245619-64-0 Catalog No: AG01F8YT MDL No:
Product Description
Catalog Number:
AG01F8YT
Chemical Name:
5-(3-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazole
CAS Number:
1245619-64-0
Molecular Formula:
C10H6ClF3N2
Molecular Weight:
246.6162
IUPAC Name:
3-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C10H6ClF3N2/c11-7-3-1-2-6(4-7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChI Key:
TWUOPOKOMYCMSV-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1[nH]nc(c1)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.617g/mol
Monoisotopic Mass:
246.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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