3-Acetamido-5-chloro-2-benzofurancarboxylic acid
Basic information
- CAS
330555-72-1- Standard SMILES
CC(=O)Nc1c(C(=O)O)oc2ccc(Cl)cc12- InChIKey
WDSQIXUDTWCQJO-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO4
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 253.0141854
Overview
3-acetamido-5-chloro-2-benzofurancarboxylic acid is a member of benzofurans.
Names & identifiers
- Preferred name
- 3-Acetamido-5-chloro-2-benzofurancarboxylic acid
- IUPAC
- 3-acetamido-5-chloro-1-benzofuran-2-carboxylic acid
Names & synonyms
3-acetamido-5-chloro-2-benzofurancarboxylic acid3-acetamido-5-chloro-1-benzofuran-2-carboxylic acid330555-72-13-(Acetylamino)-5-chloro-2-benzofurancarboxylic acidMLS000035731Cambridge id 6431606Oprea1_382151Oprea1_4368743-Acetylamino-5-chloro-benzofuran-2-carboxylic acidSCHEMBL4926041CHEMBL1428184CHEBI:105525
Show more names
DTXSID401217280HMS1675M03STK731381AKOS000510973SMR0000105473-acetamido-5-chlorobenzofuran-2-carboxylic acidSR-01000427143SR-01000427143-1
Database identifiers
- CAS
330555-72-1- PubChem CID
- 646952
- DTXSID
DTXSID401217280- ChEMBL
CHEMBL1428184- ChEBI
CHEBI:105525
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…