2-Trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride - CAS 74291-57-9
Catalog: |
BB043293 |
Product Name: |
2-Trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride |
CAS: |
74291-57-9 |
Synonyms: |
1,2,3,4-Tetrahydro-2-(trifluoroacetyl)isoquinoline-7-sulfonyl chloride; 1,2,3,4-Tetrahydro-2-(2,2,2-trifluoroacetyl)-7-isoquinolinesulfonyl Chloride; 2-(2,2,2-Trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl Chloride |
IUPAC Name: | 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonyl chloride |
Description: | 2-Trifluoroacetyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl chloride (CAS# 74291-57-9 ) is a useful research chemical. |
Molecular Weight: | 327.71 |
Molecular Formula: | C11H9ClF3NO3S |
Canonical SMILES: | C1CN(CC2=C1C=CC(=C2)S(=O)(=O)Cl)C(=O)C(F)(F)F |
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 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 488 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.9943765 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.9943765 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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