2-Amino-2-oxoethyl (4-chloro-2-methylphenoxy)acetate
Basic information
- CAS
36824-06-3- Standard SMILES
Cc1cc(Cl)ccc1OCC(=O)OCC(N)=O- InChIKey
UMAQDUCOCSTYQQ-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO4
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0454856
Names & identifiers
- Preferred name
- 2-Amino-2-oxoethyl (4-chloro-2-methylphenoxy)acetate
- IUPAC
- (2-amino-2-oxoethyl) 2-(4-chloro-2-methylphenoxy)acetate
Names & synonyms
Oprea1_123855DTXSID601208819AKOS0168531842-Amino-2-oxoethyl (4-chloro-2-methylphenoxy)acetateZ185142822-Amino-2-oxoethyl 2-(4-chloro-2-methylphenoxy)acetate36824-06-3
Database identifiers
- CAS
36824-06-3- PubChem CID
- 7779550
- DTXSID
DTXSID601208819
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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