Basic information
- CAS
65321-70-2- Standard SMILES
COc1ccc(C(CC(=O)O)CC(=O)N(CCCl)CCCl)cc1- InChIKey
MNQREWZEOKJNKU-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2NO4
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.0847635
Names & identifiers
- Preferred name
- 5-[Bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acid
- IUPAC
- 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acid
Names & synonyms
65321-70-2NSC2900935-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acidDTXSID90314946NSC-290093
Database identifiers
- CAS
65321-70-2- PubChem CID
- 324484
- DTXSID
DTXSID90314946
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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