5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-
Basic information
- CAS
57899-02-2- Standard SMILES
CC(C(=O)O)c1cc(Cl)c2c(c1)CC(C)(C)O2- InChIKey
ZXIRWWZPOMQYML-UHFFFAOYSA-N- Molecular formula
- C13H15ClO3
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.070972
Names & identifiers
- Preferred name
- 5-Benzofuranacetic acid, 2,3-dihydro-7-chloro-alpha,2,2-trimethyl-
- IUPAC
- 2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propanoic acid
- English name
- 2,3-Dihydro-7-chloro-α,2,2-trimethyl-5-benzofuranacetic acid
- Molecular formula
- C13H15ClO3
- Molecular weight
- 254.71
Names & synonyms
57899-02-25-BENZOFURANACETIC ACID, 2,3-DIHYDRO-7-CHLORO-alpha,2,2-TRIMETHYL-RefChem:1072647BRN 1381029(7-Chloro-2,2-dimethyl-2,3-dihydrobenzofuran)-alpha-methyl-5-acetic acid5-18-06-00407 (Beilstein Handbook Reference)CHEMBL3274508DTXSID209734892-(7-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid2,3-Dihydro-7-chloro-α,2,2-trimethyl-5-benzofuranacetic acid5-Benzofuranacetic acid, 7-chloro-2,3-dihydro-α,2,2-trimethyl-
Database identifiers
- CAS
57899-02-2- PubChem CID
- 42601
- DTXSID
DTXSID20973489- ChEMBL
CHEMBL3274508- Nikkaji
- J71.490I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
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