3-Chloro-7,8-dihydroisoquinolin-5(6H)-one - CAS 1105662-39-2
Catalog: |
BB002643 |
Product Name: |
3-Chloro-7,8-dihydroisoquinolin-5(6H)-one |
CAS: |
1105662-39-2 |
Synonyms: |
3-chloro-7,8-dihydro-6H-isoquinolin-5-one; 3-chloro-7,8-dihydro-6H-isoquinolin-5-one |
IUPAC Name: | 3-chloro-7,8-dihydro-6H-isoquinolin-5-one |
Description: | 3-Chloro-7,8-dihydroisoquinolin-5(6H)-one (CAS# 1105662-39-2) is a useful research chemical. |
Molecular Weight: | 181.62 |
Molecular Formula: | C9H8ClNO |
Canonical SMILES: | C1CC2=CN=C(C=C2C(=O)C1)Cl |
InChI: | InChI=1S/C9H8ClNO/c10-9-4-7-6(5-11-9)2-1-3-8(7)12/h4-5H,1-3H2 |
InChI Key: | JOENMMZAMPPISD-UHFFFAOYSA-N |
LogP: | 2.25400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2014238443-A1 | MK2 inhibitors and uses thereof | 20130315 |
AU-2019204981-A1 | MK2 inhibitors and uses thereof | 20130315 |
CA-2908098-A1 | Mk2 inhibitors and uses thereof | 20130315 |
CN-105163738-A | MK2 inhibitors and uses thereof | 20130315 |
CN-110746424-A | MK2 inhibitors and uses thereof | 20130315 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0294416 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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