4-Bromo-5-methylindole - CAS 610794-15-5
Catalog: |
BB030936 |
Product Name: |
4-Bromo-5-methylindole |
CAS: |
610794-15-5 |
Synonyms: |
4-bromo-5-methyl-1H-indole; 4-bromo-5-methyl-1H-indole |
IUPAC Name: | 4-bromo-5-methyl-1H-indole |
Description: | 4-Bromo-5-methylindole (CAS# 610794-15-5) is a useful research chemical. |
Molecular Weight: | 210.07 |
Molecular Formula: | C9H8BrN |
Canonical SMILES: | CC1=C(C2=C(C=C1)NC=C2)Br |
InChI: | InChI=1S/C9H8BrN/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-5,11H,1H3 |
InChI Key: | DVCLJDAZHYRZHZ-UHFFFAOYSA-N |
Appearance: | White to brown or grey solid |
LogP: | 3.23880 |
Publication Number | Title | Priority Date |
WO-2021000885-A1 | Quinazoline derivatives, preparation process and medical use thereof | 20190701 |
AU-2018369759-A1 | KRas G12C inhibitors | 20171115 |
TW-201938555-A | KRAS G12C inhibitor | 20171115 |
US-10689377-B2 | KRas G12C inhibitors | 20171115 |
US-2019144444-A1 | Kras g12c inhibitors | 20171115 |
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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