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Home > Bromides > 1190315-62-8
1190315-62-8 | Ethanone, 1-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoro-
CAS No: 1190315-62-8 Catalog No: AG000HOS MDL No:
Product Description
Catalog Number:
AG000HOS
Chemical Name:
Ethanone, 1-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoro-
CAS Number:
1190315-62-8
Molecular Formula:
C9H4BrF3N2O
Molecular Weight:
293.0401
IUPAC Name:
1-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H4BrF3N2O/c10-4-1-2-6-5(3-4)7(15-14-6)8(16)9(11,12)13/h1-3H,(H,14,15)
InChI Key:
QPQZDQCSYSAACT-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1n[nH]c2c1cc(Br)cc2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.946g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.043g/mol
Monoisotopic Mass:
291.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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