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Home > Bromides > 1428143-49-0
1428143-49-0 | 3-(2-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
CAS No: 1428143-49-0 Catalog No: AG01F9AK MDL No:
Product Description
Catalog Number:
AG01F9AK
Chemical Name:
3-(2-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
CAS Number:
1428143-49-0
Molecular Formula:
C10H6BrF3N2
Molecular Weight:
291.0672
IUPAC Name:
3-(2-bromophenyl)-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C10H6BrF3N2/c11-7-4-2-1-3-6(7)8-5-9(16-15-8)10(12,13)14/h1-5H,(H,15,16)
InChI Key:
SHJMGWLCEQIZNO-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1n[nH]c(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:
289.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.071g/mol
Monoisotopic Mass:
289.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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