Structure Info
- Chemspace ID
- CSMB00010366955 (Enamine MADE)
- CAS
- 863886-05-9, 1592983-59-9, 1268816-27-8
- MFCD
- MFCD22371192
- IUPAC Name
- methyl 3,4-diamino-5-chlorobenzoate
- Mol formula
- C8H9ClN2O2
- Mol weight
- 201 Da
- Catalog Number(s)
- A019102733, A729892, AA00IDYT, AG00IE1L, AG195951, AI57809, AR00IEQL, ArZ-UP116251, BBV-44987578, BD254189, BS-32919, CD12022635, CS-0371090, CSC010366955, D403029, EN300-196049, G45986, HY-W245577, LN04663025, NJB88605, PB1486090382, Z1486012914, ZX-AE055952
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.92
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00010366955
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