Home Sulfos 1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl chloride

1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl chloride

CAS No.:
74291-57-9
Catalog Number:
AG003EQ5
Molecular Formula:
C11H9ClF3NO3S
Molecular Weight:
327.7073
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Product Description
Catalog Number:
AG003EQ5
Chemical Name:
1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl chloride
CAS Number:
74291-57-9
Molecular Formula:
C11H9ClF3NO3S
Molecular Weight:
327.7073
MDL Number:
MFCD01075651
IUPAC Name:
2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride
InChI:
InChI=1S/C11H9ClF3NO3S/c12-20(18,19)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:
SXIYEBVAQTUBOQ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCc2c(C1)cc(cc2)S(=O)(=O)Cl
EC Number:
616-073-2
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.994g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.702g/mol
Monoisotopic Mass:
326.994g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties