1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid
Basic information
- CAS
151157-45-8- Standard SMILES
O=C(O)C1(c2ccccc2Cl)CCC1- InChIKey
YYPGGXSABCALFA-UHFFFAOYSA-N- Molecular formula
- C11H11ClO2
- Average molar mass
- 210.65 g/mol
- Monoisotopic mass
- 210.0447573
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid
- IUPAC
- 1-(2-chlorophenyl)cyclobutane-1-carboxylic acid
- English name
- 1-(2-Chlorophenyl)cyclobutanecarboxylic acid
- Molecular formula
- C11H11ClO2
- Molecular weight
- 210.66
Names & synonyms
1-(2-Chlorophenyl)cyclobutane-1-carboxylic acid151157-45-81-(2-CHLOROPHENYL)CYCLOBUTANECARBOXYLIC ACIDMFCD110370391-(2-Chlorophenyl)-cyclobutanecarboxylic acidSCHEMBL19469486SCHEMBL30501932DTXSID10693225BGA15745LT0103AKOS011047922AB62738
Show more names
CYCLOBUTANECARBOXYLIC ACID, 1-(2-CHLOROPHENYL)-
AS-38975SY101811CS-01016111-(2-Chlorophenyl)cyclobutane-1-carboxylicacidEN300-263154F069596Z8580313421-Carboxy-1-(2-chlorophenyl)cyclobutane, 1-(1-Carboxycyclobut-1-yl)-2-chlorobenzene
Database identifiers
- CAS
151157-45-8- PubChem CID
- 53256972
- DTXSID
DTXSID10693225
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 358.9 · 358.9±35.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.14 · 4.14±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- HS Code
- 2916200090 · 2916200090
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
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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