Methyl 2-Chloro-4-(1-pyrrolidinyl)benzoate
Basic information
- CAS
175153-38-5- Standard SMILES
COC(=O)c1ccc(N2CCCC2)cc1Cl- InChIKey
CSBLQYDWEPLAOP-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- Methyl 2-Chloro-4-(1-pyrrolidinyl)benzoate
- IUPAC
- methyl 2-chloro-4-pyrrolidin-1-ylbenzoate
- English name
- Methyl 2-Chloro-4-(1-pyrrolidinyl)benzoate
- Molecular formula
- C12H14ClNO2
- Molecular weight
- 239.7
Names & synonyms
175153-38-5Methyl 2-Chloro-4-(1-pyrrolidinyl)benzoatemethyl 2-chloro-4-(pyrrolidin-1-yl)benzoateMethyl 2-chloro-4-(1-pyrrolidinyl)-benzenecarboxylatemethyl 2-chloro-4-pyrrolidin-1-ylbenzoateBenzoic acid, 2-chloro-4-(1-pyrrolidinyl)-, methyl esterMFCD03844850methyl 2-chloro-4-(1-pyrrolidinyl)benzenecarboxylateDTXSID90377011SBB099170AKOS005069783methyl 2-chloro-4-pyrrolidinylbenzoate
Show more names
DA-19003SY019832CS-01508781T-1482
Database identifiers
- CAS
175153-38-5- PubChem CID
- 2763552
- DTXSID
DTXSID90377011
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 133 · 133~135℃
- Boiling point
- 373.6 · 373.6±32.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.93 · 1.93±0.40(Predicted)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
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Related reactions
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Compound notes
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