Structure Info
- Chemspace ID
- CSMB00012340318 (Enamine MADE)
- CAS
- 915145-02-7
- MFCD
- MFCD02682176
- IUPAC Name
- 4-{[(tert-butoxy)carbonyl]amino}-3,5-dichlorobenzoic acid
- Mol formula
- C12H13Cl2NO4
- Mol weight
- 306 Da
- Catalog Number(s)
- BBV-44996503, CSC012340318, EN300-122974, IMED1505796561, JH567520
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.75
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.33333333333333
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00012340318
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