Basic information
- CAS
879883-86-0- Standard SMILES
COC(=O)[C@H](N)Cc1ccc(Cl)c(Cl)c1- InChIKey
FCLCQOSGWAJGBJ-SECBINFHSA-N- Molecular formula
- C10H11Cl2NO2
- Average molar mass
- 248.1 g/mol
Names & identifiers
- Preferred name
- Methyl (R)-2-amino-3-(3,4-dichlorophenyl)propanoate
- IUPAC
- methyl (2R)-2-amino-3-(3,4-dichlorophenyl)propanoate
- English name
- Methyl (2R)-2-amino-3-(3,4-dichlorophenyl)propanoate
- Molecular formula
- C10H11Cl2NO2
- Molecular weight
- 248.11
Names & synonyms
SCHEMBL3750165Methyl (R)-2-amino-3-(3,4-dichlorophenyl)propanoate879883-86-0D-Phenylalanine, 3,4-dichloro-, methyl esterMethyl (2R)-2-amino-3-(3,4-dichlorophenyl)propanoate
Database identifiers
- CAS
879883-86-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 327.6 · 327.6±37.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- pka
- 6.53 · 6.53±0.33(Predicted)
Chemistry & industry
Suppliers3 total
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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