Phenol, 2-bromo-, 1-propanoate
Basic information
- CAS
23600-76-2- Standard SMILES
CCC(=O)Oc1ccccc1Br- InChIKey
CQOJLROYGSGCQQ-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859
Names & identifiers
- Preferred name
- Phenol, 2-bromo-, 1-propanoate
- IUPAC
- (2-bromophenyl) propanoate
- English name
- o-bromophenyl propionate
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
23600-76-2Propionic acid, o-bromo-phenyl esterPhenol, 2-bromo-, 1-propanoateDTXSID60178254RefChem:1094853DTXCID90100745o-Bromophenyl propionate(2-bromophenyl) propanoate2-Bromophenyl propionate2-BROMOPHENYL PROPANOATENSC-404318o-Bromo-phenyl propionate
Show more names
Phenol, o-bromo-, propionateEINECS 245-771-6NSC 404318BRN 3048943UD7XLX9XGFSCHEMBL1343624SCHEMBL31621484CQOJLROYGSGCQQ-UHFFFAOYSA-N
Database identifiers
- CAS
23600-76-2- PubChem CID
- 90204
- DTXSID
DTXSID60178254- UNII
- UD7XLX9XGF
- EC Number
- 245-771-6
- Nikkaji
- J51.074B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- FDA UNII
- 7 XLX9XGF · UD7XLX9XGF
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…