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245748-62-3 | 1H-Pyrazole, 5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-
CAS No: 245748-62-3 Catalog No: AG002OMW MDL No:
Product Description
Catalog Number:
AG002OMW
Chemical Name:
1H-Pyrazole, 5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)-
CAS Number:
245748-62-3
Molecular Formula:
C10H5BrF3N3O2
Molecular Weight:
336.0648
IUPAC Name:
5-bromo-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C10H5BrF3N3O2/c11-9-5-8(10(12,13)14)15-16(9)6-1-3-7(4-2-6)17(18)19/h1-5H
InChI Key:
PHKUIOUZQWVAJB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(cc1Br)C(F)(F)F
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.952g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.068g/mol
Monoisotopic Mass:
334.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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