Structure Info
- Chemspace ID
- CSMB00121573724 (Enamine MADE)
- CAS
- 181873-33-6
- MFCD
- MFCD31579962
- IUPAC Name
- 7-tert-butyl 2-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate
- Mol formula
- C13H16BrNO4
- Mol weight
- 330 Da
- Catalog Number(s)
- 181750, AA01DK23, ABC00120691, AG-B05154, AG01DK4V, AOS01DK4V, AR01DKTV, AS-73930, AX12039, BD00793724, BD00848077, BF12039, CP007312, CS-0039627, CSC121573724, D182270, D774639, EN300-173278, F601974, GHA87333, HY-W020445, LN02184626, SAB-110828, SY124273, W14631, W14631-0.25G, W158079
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.14
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.53846153846154
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00121573724
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