Structure Info
- Chemspace ID
- CSMB00000101943 (Enamine MADE)
- CAS
- 37902-02-6
- MFCD
- MFCD11101012
- IUPAC Name
- 3,4-diamino-5-chlorobenzoic acid
- Mol formula
- C7H7ClN2O2
- Mol weight
- 187 Da
- Catalog Number(s)
- BB12-5853, BBV-38325238, CS-0566299, CSC000101943, EN300-196050, FCH888344
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.58
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 89
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 3
- Zoom the structure
- CSMB00000101943
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