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1269292-85-4 | 1H-Pyrazole, 1-(3-chlorophenyl)-5-(trifluoromethyl)-
CAS No: 1269292-85-4 Catalog No: AG000TK9 MDL No:MFCD20275404
Product Description
Catalog Number:
AG000TK9
Chemical Name:
1H-Pyrazole, 1-(3-chlorophenyl)-5-(trifluoromethyl)-
CAS Number:
1269292-85-4
Molecular Formula:
C10H6ClF3N2
Molecular Weight:
246.6162
MDL Number:
MFCD20275404
IUPAC Name:
1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C10H6ClF3N2/c11-7-2-1-3-8(6-7)16-9(4-5-15-16)10(12,13)14/h1-6H
InChI Key:
BAWHNJQMQYMYHW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1nccc1C(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:
0
Isotope Atom Count:
0
Molecular Weight:
246.617g/mol
Monoisotopic Mass:
246.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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