Basic information
- CAS
6279-87-4- Standard SMILES
O=C(OCCCl)c1ccccc1C(=O)OCCCl- InChIKey
ILSHUTZNPABZPQ-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2O4
- Average molar mass
- 291.12 g/mol
- Monoisotopic mass
- 290.0112642
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, bis(2-chloroethyl) ester
- IUPAC
- bis(2-chloroethyl) benzene-1,2-dicarboxylate
Names & synonyms
Bis(2-chloroethyl) phthalateDi-2-chloroethyl phthalate6279-87-4CP 767AI3-11081Bis(2-chloroethyl) 1,2-benzenedicarboxylate1,2-Benzenedicarboxylic acid, bis(2-chloroethyl) esterDTXSID1073367NSC 11012RefChem:215483Phthalic acid, bis(2-chloroethyl) ester (7CI,8CI)DTXCID2043533
Show more names
bis(2-chloroethyl) benzene-1,2-dicarboxylateSCHEMBL6517486ILSHUTZNPABZPQ-UHFFFAOYSA-NNSC11012NSC-11012Phthalic acid, di(2-chloroethyl) esterPhthalic acid, bis(2-chloroethyl) ester
Database identifiers
- CAS
6279-87-4- PubChem CID
- 94965
- DTXSID
DTXSID1073367
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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