7-Chloro-4-methyl-1H-indole - CAS 941294-27-5
Catalog: |
BB041203 |
Product Name: |
7-Chloro-4-methyl-1H-indole |
CAS: |
941294-27-5 |
Synonyms: |
7-chloro-4-methyl-1H-indole; 7-chloro-4-methyl-1H-indole |
IUPAC Name: | 7-chloro-4-methyl-1H-indole |
Description: | 7-Chloro-4-methyl-1H-indole (CAS# 941294-27-5) is a useful research chemical. |
Molecular Weight: | 165.62 |
Molecular Formula: | C9H8ClN |
Canonical SMILES: | CC1=C2C=CNC2=C(C=C1)Cl |
InChI: | InChI=1S/C9H8ClN/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5,11H,1H3 |
InChI Key: | VROAZBUBLKHGDJ-UHFFFAOYSA-N |
LogP: | 3.12970 |
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 |
CA-3027418-A1 | Cyanoindoline derivatives as nik inhibitors | 20160630 |
EP-3478673-A1 | Cyanoindoline derivatives as nik inhibitors | 20160630 |
JP-2019524646-A | Cyanoindoline derivatives as NIK inhibitors | 20160630 |
KR-20190025949-A | Cyanoindoline derivatives as NIK inhibitors | 20160630 |
US-2019119299-A1 | Cyanoindoline derivatives as nik inhibitors | 20160630 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0345270 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0345270 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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