1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl Chloride - CAS 952424-09-8
Catalog: |
BB041656 |
Product Name: |
1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl Chloride |
CAS: |
952424-09-8 |
Synonyms: |
1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonyl chloride; 1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonyl chloride |
IUPAC Name: | 1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonyl chloride |
Description: | 1-Oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonyl Chloride (CAS# 952424-09-8) is a useful research chemical. |
Molecular Weight: | 245.68 |
Molecular Formula: | C9H8ClNO3S |
Canonical SMILES: | C1CNC(=O)C2=C1C=CC(=C2)S(=O)(=O)Cl |
InChI: | InChI=1S/C9H8ClNO3S/c10-15(13,14)7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12) |
InChI Key: | AAKHUSHVJIHFLT-UHFFFAOYSA-N |
LogP: | 2.30960 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2013370300-A1 | Novel antiviral agents against HBV infection | 20121227 |
CA-2896554-A1 | Novel antiviral agents against hbv infection | 20121227 |
CA-2896554-C | Novel antiviral agents against hbv infection | 20121227 |
CN-105209031-A | Novel antiviral agents against HBV infection | 20121227 |
EP-2938338-A2 | Novel antiviral agents against hbv infection | 20121227 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9913420 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9913420 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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