1-Chloro-6-nitroisoquinoline - CAS 1367810-55-6
Catalog: |
BB008408 |
Product Name: |
1-Chloro-6-nitroisoquinoline |
CAS: |
1367810-55-6 |
Synonyms: |
1-chloro-6-nitroisoquinoline; 1-chloro-6-nitroisoquinoline |
IUPAC Name: | 1-chloro-6-nitroisoquinoline |
Description: | 1-Chloro-6-nitroisoquinoline (CAS# 1367810-55-6) is a useful synthetic intermediate. |
Molecular Weight: | 208.60 |
Molecular Formula: | C9H5ClN2O2 |
Canonical SMILES: | C1=CC2=C(C=CN=C2Cl)C=C1[N+](=O)[O-] |
InChI: | InChI=1S/C9H5ClN2O2/c10-9-8-2-1-7(12(13)14)5-6(8)3-4-11-9/h1-5H |
InChI Key: | HYPKTFUVDWSWBZ-UHFFFAOYSA-N |
LogP: | 3.31960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020140098-A1 | Inhibitors of cyclin-dependent kinase 7 and uses thereof | 20181228 |
WO-2020123925-A1 | Pyrazolopyridine inhibitors of c-jun-n-terminal kinases and uses thereof | 20181214 |
CN-113164477-A | Pyrazolopyridine inhibitors of C-JUN-N-terminal kinase and uses thereof | 20181214 |
CN-105017152-A | Preparation method of 3-chloro(bromo)-6-nitroisoquinoline | 20150717 |
CN-105017152-B | Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline | 20150717 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0039551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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