2,3,4,5,6-Pentachlorophenyl 3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoat e
Basic information
- CAS
3086-21-3- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)OCc1ccccc1- InChIKey
JMMQXIKTWGCUMQ-HNNXBMFYSA-N- Molecular formula
- C23H16Cl5NO4
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 544.952196
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentachlorophenyl 3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoat e
- IUPAC
- (2,3,4,5,6-pentachlorophenyl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- N-[(Benzyloxy)carbonyl]-L-phenylalanine pentachlorophenyl ester
- Molecular formula
- C23H16Cl5NO4
- Molecular weight
- 547.64
Names & synonyms
NSC120020AKOS024350639NSC-120020ST509750622,3,4,5,6-pentachlorophenyl 3-phenyl-2-[(phenylmethoxy)carbonylamino]propanoat e3086-21-3N-[(Benzyloxy)carbonyl]-L-phenylalanine pentachlorophenyl esterL-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, pentachlorophenyl ester (9CI)
Database identifiers
- CAS
3086-21-3- PubChem CID
- 274174
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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