Structure Info
- Chemspace ID
- CSMB14923720639 (Enamine MADE)
- CAS
- 1042422-67-2
- IUPAC Name
- tert-butyl 2-amino-5-cyano-3-methylbenzoate
- Mol formula
- C13H16N2O2
- Mol weight
- 232 Da
- Catalog Number(s)
- BBV-1095168255, EN300-46796072
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.22
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB14923720639
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