7-Bromo-5-methylindole - CAS 15936-79-5
Catalog: |
BB011528 |
Product Name: |
7-Bromo-5-methylindole |
CAS: |
15936-79-5 |
Synonyms: |
7-bromo-5-methyl-1H-indole |
IUPAC Name: | 7-bromo-5-methyl-1H-indole |
Description: | 7-Bromo-5-methylindole (CAS# 15936-79-5 ) is a useful research chemical. |
Molecular Weight: | 210.07 |
Molecular Formula: | C9H8BrN |
Canonical SMILES: | CC1=CC(=C2C(=C1)C=CN2)Br |
InChI: | InChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5,11H,1H3 |
InChI Key: | DCPYEEKBRKJUCY-UHFFFAOYSA-N |
Appearance: | Colorless to brown liquid |
MDL: | MFCD03414678 |
LogP: | 3.23880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020016453-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
CN-112673009-A | Substituted triazoloquinoxaline derivatives | 20180720 |
EP-3823971-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
US-2021139488-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
EP-3423435-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.98401 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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