Basic information
- CAS
6964-90-5- Standard SMILES
CC(=O)Oc1cc(N(C)CCCl)ccc1C(=O)O- InChIKey
KVQUIWSRZYZDIV-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO4
- Average molar mass
- 271.69 g/mol
- Monoisotopic mass
- 271.0611356
Names & identifiers
- Preferred name
- 2-(Acetyloxy)-4-[(2-chloroethyl)(methyl)amino]benzoic acid
- IUPAC
- 2-acetyloxy-4-[2-chloroethyl(methyl)amino]benzoic acid
Names & synonyms
6964-90-52-(acetyloxy)-4-[(2-chloroethyl)(methyl)amino]benzoic acidNSC67045DTXSID40290145NSC-67045DS-0128842-acetyloxy-4-(2-chloroethyl-methyl-amino)benzoic acid
Database identifiers
- CAS
6964-90-5- PubChem CID
- 249084
- DTXSID
DTXSID40290145
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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