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Home > Bromides > 1249598-93-3
1249598-93-3 | 1H-Pyrazole, 1-(4-bromophenyl)-5-(trifluoromethyl)-
CAS No: 1249598-93-3 Catalog No: AG000MWR MDL No:MFCD17216109
Product Description
Catalog Number:
AG000MWR
Chemical Name:
1H-Pyrazole, 1-(4-bromophenyl)-5-(trifluoromethyl)-
CAS Number:
1249598-93-3
Molecular Formula:
C10H6BrF3N2
Molecular Weight:
291.0672
MDL Number:
MFCD17216109
IUPAC Name:
1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C10H6BrF3N2/c11-7-1-3-8(4-2-7)16-9(5-6-15-16)10(12,13)14/h1-6H
InChI Key:
GWMAQBTUQPNVSW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nccc1C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.071g/mol
Monoisotopic Mass:
289.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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