Structure Info
- Chemspace ID
- CSMB00025789307 (Enamine MADE)
- CAS
- 2137986-24-2
- MFCD
- MFCD30735243
- IUPAC Name
- chloromethyl 2-{[(tert-butoxy)carbonyl]amino}-4-chloro-5-methoxybenzoate
- Mol formula
- C14H17Cl2NO5
- Mol weight
- 350 Da
- Catalog Number(s)
- BBV-110011351, CSC025789307, EN300-387208, FCH9172887
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.95
- Heavy atoms count
- 22
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789307
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