3-chloro-4-(cyclopropylmethoxy)Benzoic acid
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Basic information
- CAS
856165-89-4- Standard SMILES
O=C(O)c1ccc(OCC2CC2)c(Cl)c1- InChIKey
BLMUANMNUNBEJS-UHFFFAOYSA-N- Molecular formula
- C11H11ClO3
- Average molar mass
- 226.65 g/mol
- Monoisotopic mass
- 226.0396719
Names & identifiers
- Preferred name
- 3-chloro-4-(cyclopropylmethoxy)Benzoic acid
- IUPAC
- 3-chloro-4-(cyclopropylmethoxy)benzoic acid
- English name
- 3-chloro-4-(cyclopropylmethoxy)Benzoic acid
- Molecular formula
- C11H11ClO3
- Molecular weight
- 226.66
Names & synonyms
3-chloro-4-(cyclopropylmethoxy)Benzoic acid856165-89-4MFCD14652993Benzoic acid, 3-chloro-4-(cyclopropylmethoxy)-3-Chloro-4-(cyclopropylmethoxy)benzoicAcidSCHEMBL1015121BLMUANMNUNBEJS-UHFFFAOYSA-NAKOS010637757AS-44139DA-02215SY028672CS-0456403
Show more names
3-chloro-4-[(cyclopropylmethyl)oxy]benzoic acidF776479A1-07157
Database identifiers
- CAS
856165-89-4- PubChem CID
- 61379781
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 362.2 · 362.2±22.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 4.1 · 4.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918999090 · 2918999090
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
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
3 records
Compound notes
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