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181514-35-2 | Ethanone, 1-(7-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
CAS No: 181514-35-2 Catalog No: AG0022Y3 MDL No:MFCD07644563
Product Description
Catalog Number:
AG0022Y3
Chemical Name:
Ethanone, 1-(7-bromo-3,4-dihydro-2(1H)-isoquinolinyl)-2,2,2-trifluoro-
CAS Number:
181514-35-2
Molecular Formula:
C11H9BrF3NO
Molecular Weight:
308.0945
MDL Number:
MFCD07644563
IUPAC Name:
1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C11H9BrF3NO/c12-9-2-1-7-3-4-16(6-8(7)5-9)10(17)11(13,14)15/h1-2,5H,3-4,6H2
InChI Key:
VKQVUQYZTXGZLW-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCc2c(C1)cc(cc2)Br
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.982g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.098g/mol
Monoisotopic Mass:
306.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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