Basic information
- CAS
75645-15-7- Standard SMILES
CC(=O)Nc1ccc(C(=O)OCC(O)CCl)cc1- InChIKey
XOEKQGPIEBPNEV-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Overview
structure given in first source
Names & identifiers
- Preferred name
- alpha-Chlorohydrin mono-4-acetamidobenzoate
- IUPAC
- (3-chloro-2-hydroxypropyl) 4-acetamidobenzoate
- English name
- alpha-chlorohydrin mono-4-acetamidobenzoate
- Molecular formula
- C12H14ClNO4
- Molecular weight
- 271.69686
Names & synonyms
75645-15-7alpha-Chlorohydrin mono-4-acetamidobenzoateBENZOIC ACID, 4-(ACETYLAMINO)-, 3-CHLORO-2-HYDROXYPROPYL ESTERAlpha chlorohydrin-para-acetamidobenzoatealpha-chlorohydrin-MABRefChem:111123(3-chloro-2-hydroxypropyl) 4-acetamidobenzoatealpha-Chlorohydrin mono(p-acetamidobenzoate)DTXSID20997084N-{4-[(3-Chloro-2-hydroxypropoxy)carbonyl]phenyl}ethanimidic acid
Database identifiers
- CAS
75645-15-7- PubChem CID
- 53292
- DTXSID
DTXSID20997084
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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