3-Amino-6-bromo-1-benzothiophene-2-carboxylic acid - CAS 1781783-46-7
Catalog: |
BB075075 |
Product Name: |
3-Amino-6-bromo-1-benzothiophene-2-carboxylic acid |
CAS: |
1781783-46-7 |
Synonyms: |
3-Amino-6-bromo-1-benzothiophene-2-carboxylic acid; 3-Amino-6-bromo-1-benzothiophene-2-carboxylicacid; Benzo[b]thiophene-2-carboxylic acid, 3-amino-6-bromo- |
IUPAC Name: | 3-amino-6-bromo-1-benzothiophene-2-carboxylic acid |
Description: | 3-Amino-6-bromo-1-benzothiophene-2-carboxylic acid |
Molecular Weight: | 272.12 |
Molecular Formula: | C9H6BrNO2S |
Canonical SMILES: | C1=CC2=C(C=C1Br)SC(=C2N)C(=O)O |
InChI: | InChI=1S/C9H6BrNO2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,11H2,(H,12,13) |
InChI Key: | ZJNYXZSJRIHLMW-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.93026 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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