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

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

CAS: 74291-57-9

Formula: C11H9ClF3NO3S

SMILES: FC(F)(F)C(=O)N1CCC2=CC=C(C=C2C1)S(Cl)(=O)=O

IUPAC: 2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-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

Composition: C (40.32%), H (2.77%), Cl (10.82%), F (17.39%), N (4.27%), O (14.65%), S (9.78%)

Molar Mass: 327.7

Atom Count: 29

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 326.9943765
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SXIYEBVAQTUBOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.39
Topological Polar Surface Area 54.45
Polarizability 25.7
Ring Count 2
Rotatable Bond Count 2

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