Structure Info
- Chemspace ID
- CSSS00000701699 (In-Stock Screening Compounds)
- CAS
- 1379287-85-0, 1379183-04-6
- MFCD
- MFCD20652169
- IUPAC Name
- 2-amino-4-chloro-6-methylbenzoic acid
- Mol formula
- C8H8ClNO2
- Mol weight
- 186 Da
- Catalog Number(s)
- A019099977, A577688, A604848, BB4LS-EN300-135853, BBV-39935710, BD00726025, CSC000701699, EFC28785, EN300-135853, FCG1675556873, Y4041760, Z1262539276
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.57
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 63
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSSS00000701699
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