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1883347-28-1 | Ethanone, 1-(5-bromo-3-pyridinyl)-2,2,2-trifluoro-, hydrochloride (1:1)
CAS No: 1883347-28-1 Catalog No: AG002GU1 MDL No:
Product Description
Catalog Number:
AG002GU1
Chemical Name:
Ethanone, 1-(5-bromo-3-pyridinyl)-2,2,2-trifluoro-, hydrochloride (1:1)
CAS Number:
1883347-28-1
Molecular Formula:
C7H4BrClF3NO
Molecular Weight:
290.4650
IUPAC Name:
1-(5-bromopyridin-3-yl)-2,2,2-trifluoroethanone;hydrochloride
InChI:
InChI=1S/C7H3BrF3NO.ClH/c8-5-1-4(2-12-3-5)6(13)7(9,10)11;/h1-3H;1H
InChI Key:
RSBFCATUZMLWIQ-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)C(=O)C(F)(F)F.Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.912g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.464g/mol
Monoisotopic Mass:
288.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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