Ethyl 3-amino-6-bromobenzothiophene-2-carboxylate - CAS 1216708-87-0
Catalog: |
BB065900 |
Product Name: |
Ethyl 3-amino-6-bromobenzothiophene-2-carboxylate |
CAS: |
1216708-87-0 |
Synonyms: |
Ethyl 3-Amino-6-bromo-1-benzothiophene-2-carboxylate; Ethyl 3-amino-6-bromobenzothiophene-2-carboxylate; ethyl 3-amino-6-bromobenzo[b]thiophene-2-carboxylate |
IUPAC Name: | ethyl 3-amino-6-bromo-1-benzothiophene-2-carboxylate |
Description: | Ethyl 3-amino-6-bromobenzothiophene-2-carboxylate |
Molecular Weight: | 300.17 |
Molecular Formula: | C11H10BrNO2S |
Canonical SMILES: | CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)Br)N |
InChI: | InChI=1S/C11H10BrNO2S/c1-2-15-11(14)10-9(13)7-4-3-6(12)5-8(7)16-10/h3-5H,2,13H2,1H3 |
InChI Key: | SVDHYNLCQITTOT-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.96156 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.96156 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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