Structure Info
- Chemspace ID
- CSMB00025789440 (Enamine MADE)
- CAS
- 2137742-90-4
- MFCD
- MFCD30735304
- IUPAC Name
- chloromethyl 4-bromo-2-{[(tert-butoxy)carbonyl]amino}-5-methoxybenzoate
- Mol formula
- C14H17BrClNO5
- Mol weight
- 395 Da
- Catalog Number(s)
- BBV-110013964, CSC025789440, EN300-387269, FCH9172982
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.11
- Heavy atoms count
- 22
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.42857142857143
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00025789440
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