3-Chloro-4-isopropoxy-5-methoxyphenylboronic acid
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Basic information
- CAS
2096341-61-4- Standard SMILES
COc1cc(B(O)O)cc(Cl)c1OC(C)C- InChIKey
PELOJNIOEOCUKW-UHFFFAOYSA-N- Molecular formula
- C10H14BClO4
- Average molar mass
- 244.48 g/mol
- Monoisotopic mass
- 244.0673668
Names & identifiers
- Preferred name
- 3-Chloro-4-isopropoxy-5-methoxyphenylboronic acid
- IUPAC
- (3-chloro-5-methoxy-4-propan-2-yloxyphenyl)boronic acid
- English name
- 3-chloro-4-isopropoxy-5-methoxyphenylboronic acid
- Molecular formula
- C10H14BClO4
- Molecular weight
- 244.48
Names & synonyms
2096341-61-43-CHLORO-4-ISOPROPOXY-5-METHOXYPHENYLBORONIC ACIDMFCD21332922(3-Chloro-4-isopropoxy-5-methoxyphenyl)boronic acidCS-0178273(3-Chloro-4-isopropoxy-5-methoxyphenyl)boronicacid(3-chloro-4-isopropoxy-5-methoxy-phenyl)boronic acid(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)boronic acid[3-chloro-5-methoxy-4-(propan-2-yloxy)phenyl]boronic acid3-Chloro-4-isopropoxy-5-methoxyphenylboronic acid; 96%Boronic acid, B-[3-chloro-5-methoxy-4-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
2096341-61-4- PubChem CID
- 74891065
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Compound notes
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