Basic information
- CAS
937-22-4- Standard SMILES
O=C(OO)c1ccc(Cl)cc1- InChIKey
STABAPSYCQFWOK-UHFFFAOYSA-N- Molecular formula
- C7H5ClO3
- Average molar mass
- 172.56 g/mol
- Monoisotopic mass
- 171.9927217
Names & identifiers
- Preferred name
- p-Chloroperbenzoic acid
- IUPAC
- 4-chlorobenzenecarboperoxoic acid
Names & synonyms
p-Chloroperbenzoic acid937-22-44-chloroperbenzoic acidEINECS 213-324-44-chlorobenzene-1-carboperoxoic acid4-chloroperoxybenzoic acidSCHEMBL160814peroxybenzoic acid, 4-chloro-DTXSID10239541NS00039583
Database identifiers
- CAS
937-22-4- PubChem CID
- 70299
- DTXSID
DTXSID10239541- EC Number
- 213-324-4
- Nikkaji
- J167.593A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Related reactions
7 records
Compound notes
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