Structure Info
- Chemspace ID
- CSMB00011218517 (Enamine MADE)
- CAS
- 74878-31-2
- MFCD
- MFCD00016636
- IUPAC Name
- ethyl 4-amino-3,5-dichlorobenzoate
- Mol formula
- C9H9Cl2NO2
- Mol weight
- 234 Da
- Catalog Number(s)
- 74878-31-2, 8653804, A019092988, A450378, AA005GJS, AC54628, ACM74878312, ADB80965001, AG005GMK, AG216762, AK54628, AR005HBK, BB4LS-PS-4140, BBV-40197630, BD82499, C16324, C69877, CD12036848, CS-0298914, CSC011218517, CSCR00001412429, E899483, EN300-5560711, F711192, FCH1321794, FE70684, HY-W236455, JH467474, LN00213975, OR21247, PS-4140, SAB-038081, X216199, Y1337955, Z1537573899, s_1458_7917782_483918, s_1458____7917782____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.71
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011218517
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