Basic information
- CAS
58161-14-1- Standard SMILES
NC(Cc1ccc2ccccc2c1Cl)C(=O)O- InChIKey
PONNGHZRDCRUDO-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO2
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0556563
Overview
structure
Names & identifiers
- Preferred name
- beta-(1-Chloro-2-naphthyl)alanine
- IUPAC
- 2-amino-3-(1-chloronaphthalen-2-yl)propanoic acid
Names & synonyms
beta-(1-Chloro-2-naphthyl)alanine58161-14-1RefChem:1191522-Naphthalenepropanoic acid, alpha-amino-1-chloro-, (+-)-2-amino-3-(1-chloronaphthalen-2-yl)propanoic acidNSC280304SCHEMBL5293815CHEMBL3272603DTXSID709737323-(1-Chloronaphthalen-2-yl)alanineNSC-280304
Database identifiers
- CAS
58161-14-1- PubChem CID
- 322483
- DTXSID
DTXSID70973732- ChEMBL
CHEMBL3272603
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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