1H-Indole-2-carboxylic acid, 3-bromo-1-methyl-, methyl ester - CAS 1467773-48-3
Catalog: |
BB054143 |
Product Name: |
1H-Indole-2-carboxylic acid, 3-bromo-1-methyl-, methyl ester |
CAS: |
1467773-48-3 |
Synonyms: |
Methyl3-bromo-1-methyl-1H-indole-2-carboxylate |
IUPAC Name: | methyl 3-bromo-1-methylindole-2-carboxylate |
Molecular Weight: | 268.11 |
Molecular Formula: | C11H10BrNO2 |
Canonical SMILES: | CN1C2=CC=CC=C2C(=C1C(=O)OC)Br |
InChI: | InChI=1S/C11H10BrNO2/c1-13-8-6-4-3-5-7(8)9(12)10(13)11(14)15-2/h3-6H,1-2H3 |
InChI Key: | SMSGYWKQYSIULE-UHFFFAOYSA-N |
Boiling Point: | 366.6±22.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.98949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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