Ethyl 3-Bromo-7-methylindole-1-carboxylate - CAS 1375064-43-9
Catalog: |
BB008584 |
Product Name: |
Ethyl 3-Bromo-7-methylindole-1-carboxylate |
CAS: |
1375064-43-9 |
Synonyms: |
3-bromo-7-methyl-1-indolecarboxylic acid ethyl ester; ethyl 3-bromo-7-methylindole-1-carboxylate |
IUPAC Name: | ethyl 3-bromo-7-methylindole-1-carboxylate |
Description: | Ethyl 3-Bromo-7-methylindole-1-carboxylate (CAS# 1375064-43-9 ) is a useful research chemical. |
Molecular Weight: | 282.13 |
Molecular Formula: | C12H12BrNO2 |
Canonical SMILES: | CCOC(=O)N1C=C(C2=C1C(=CC=C2)C)Br |
InChI: | InChI=1S/C12H12BrNO2/c1-3-16-12(15)14-7-10(13)9-6-4-5-8(2)11(9)14/h4-7H,3H2,1-2H3 |
InChI Key: | HYBXWXSTGDLURK-UHFFFAOYSA-N |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.00514 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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