6-Bromo-4-methyl-1H-indole - CAS 885520-51-4
Catalog: |
BB054399 |
Product Name: |
6-Bromo-4-methyl-1H-indole |
CAS: |
885520-51-4 |
Synonyms: |
1H-Indole, 6-bromo-4-methyl-; 6-Bromo-4-methyl indole; 6-Bromo-4-methylindole |
IUPAC Name: | 6-bromo-4-methyl-1H-indole |
Molecular Weight: | 210.07 |
Molecular Formula: | C9H8BrN |
Canonical SMILES: | CC1=CC(=CC2=C1C=CN2)Br |
InChI: | InChI=1S/C9H8BrN/c1-6-4-7(10)5-9-8(6)2-3-11-9/h2-5,11H,1H3 |
InChI Key: | JWPFDGDDONIZCT-UHFFFAOYSA-N |
Boiling Point: | 328.8±22.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
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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