(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid
Basic information
- CAS
5389-30-0- Standard SMILES
CN(CC(=O)O)Cc1c(O)c(Cl)cc(Cl)c1Cl- InChIKey
AFNKCFYOQROHMA-UHFFFAOYSA-N- Molecular formula
- C10H10Cl3NO3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 296.972626
Names & identifiers
- Preferred name
- (Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid
- IUPAC
- 2-[methyl-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]amino]acetic acid
Names & synonyms
NSC451145389-30-0NSC-45114NCIStruc1_000593NCIStruc2_000341CHEMBL1408498(methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acidDTXSID10286378NCI45114CCG-37645NCGC00013538NCGC00013538-02
Show more names
NCGC00096651-01NCI60_004035N-Methyl-N-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]glycine
Database identifiers
- CAS
5389-30-0- PubChem CID
- 239729
- DTXSID
DTXSID10286378- ChEMBL
CHEMBL1408498
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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