3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid
Basic information
- CAS
1637-40-7- Standard SMILES
Cc1cccc2c(Br)c(C(=O)O)sc12- InChIKey
BVTFKHLGSMHOEC-UHFFFAOYSA-N- Molecular formula
- C10H7BrO2S
- Average molar mass
- 271.13 g/mol
- Monoisotopic mass
- 269.93501
Names & identifiers
- Preferred name
- 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid
- IUPAC
- 3-bromo-7-methyl-1-benzothiophene-2-carboxylic acid
Names & synonyms
3-Bromo-7-methylbenzo(b)thiophene-2-carboxylic acid3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid1637-40-7RefChem:2776773-Bromo-7-methyl-1-benzothiophene-2-carboxylic acidBVTFKHLGSMHOEC-UHFFFAOYSA-NDTXSID5012220603-Bromo-7-methyl-1-benzothiophene-2-carboxylic acid #
Database identifiers
- CAS
1637-40-7- PubChem CID
- 623394
- DTXSID
DTXSID501222060- Nikkaji
- J1.426.603H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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