Basic information
- CAS
37744-47-1- Standard SMILES
O=C(CCCCC(=O)OCc1cncc(Cl)c1)OCc1cncc(Cl)c1- InChIKey
OVYJJSSBRLTNQS-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N2O4
- Average molar mass
- 397.2 g/mol
- Monoisotopic mass
- 396.0643624
Names & identifiers
- Preferred name
- Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester
- IUPAC
- bis[(5-chloro-3-pyridinyl)methyl] hexanedioate
Names & synonyms
BRN 1513107Hexanedioic acid, bis((5-chloro-3-pyridinyl)methyl) ester37744-47-1Bis((5-chloro-3-pyridinyl)methyl) hexanedioateDTXSID80191187RefChem:347629DTXCID90113678bis[(5-chloropyridin-3-yl)methyl] hexanedioate
Database identifiers
- CAS
37744-47-1- PubChem CID
- 216822
- DTXSID
DTXSID80191187
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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