2-(2-Chlorobenzyl)succinic acid
Basic information
- CAS
103857-61-0- Standard SMILES
O=C(O)CC(Cc1ccccc1Cl)C(=O)O- InChIKey
FTJBLTIWNBZCRC-UHFFFAOYSA-N- Molecular formula
- C11H11ClO4
- Average molar mass
- 242.65 g/mol
- Monoisotopic mass
- 242.0345865
Names & identifiers
- Preferred name
- 2-(2-Chlorobenzyl)succinic acid
- IUPAC
- 2-[(2-chlorophenyl)methyl]butanedioic acid
- English name
- 2-(2-Chloro-benzyl)-succinic acid
- Molecular formula
- C11H11ClO4
- Molecular weight
- 242.66
Names & synonyms
2-(2-chlorobenzyl)succinic acid103857-61-0RefChem:2505632-[(2-chlorophenyl)methyl]butanedioic acidNSC20707Butanedioic acid, [(2-chlorophenyl)methyl]-NSC-20707CHEMBL573415SCHEMBL13990183DTXSID00281195FTJBLTIWNBZCRC-UHFFFAOYSA-N2-(2-chlorobenzyl)butanedioic acid
Show more names
(2-chloro-benzyl)-succinic acid
2-(2-Chloro-benzyl)-succinic acidNCI60_0017382-[(2-chlorophenyl)-methyl]-butanedioic acidbutanedioic acid, 2-[(2-chlorophenyl)methyl]-
Database identifiers
- CAS
103857-61-0- PubChem CID
- 228095
- DTXSID
DTXSID00281195- ChEMBL
CHEMBL573415- Nikkaji
- J2.143.781F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 157.5 · 157.5-157.8 °C(Solv: benzene (71-43-2); heptane (142-82-5))
- Boiling point
- 361.4 · 361.4±27.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- pka
- 3.92 · 3.92±0.11(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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