2-(2,5-Dichlorophenyl)alanine
Basic information
- CAS
500698-03-3- Standard SMILES
CC(N)(C(=O)O)c1cc(Cl)ccc1Cl- InChIKey
BLFVYOINLGLLHF-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO2
- Average molar mass
- 234.08 g/mol
- Monoisotopic mass
- 233.0010339
Names & identifiers
- Preferred name
- 2-(2,5-Dichlorophenyl)alanine
- IUPAC
- 2-amino-2-(2,5-dichlorophenyl)propanoic acid
Names & synonyms
2-(2,5-Dichlorophenyl)alanineDTXSID501241014AKOS000167568500698-03-3I+/--Amino-2,5-dichloro-I+/--methylbenzeneacetic acid
Database identifiers
- CAS
500698-03-3- PubChem CID
- 5115781
- DTXSID
DTXSID501241014
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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