Ethyl 5-Bromobenzo[b]thiophene-2-carboxylate - CAS 13771-68-1
Catalog: |
BB065861 |
Product Name: |
Ethyl 5-Bromobenzo[b]thiophene-2-carboxylate |
CAS: |
13771-68-1 |
Synonyms: |
Ethyl 5-bromo-1-benzothiophene-2-carboxylate; Ethyl 5-bromo-1-benzo[b]thiophene-2-carboxylate; ethyl 5-bromobenzo[b]thiophene-2-carboxylate; Benzo[b]thiophene-2-carboxylic acid, 5-bromo-, ethyl ester |
IUPAC Name: | ethyl 5-bromo-1-benzothiophene-2-carboxylate |
Molecular Weight: | 285.16 |
Molecular Formula: | C11H9BrO2S |
Canonical SMILES: | CCOC(=O)C1=CC2=C(S1)C=CC(=C2)Br |
InChI: | InChI=1S/C11H9BrO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3 |
InChI Key: | QYNBPINLQQVHBJ-UHFFFAOYSA-N |
References: | Chapman, N.B., et al. J. Chem. Soc. C, 8, 731-5 (1967). |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.95066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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