2-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzoic Acid
Basic information
- CAS
886360-91-4- Standard SMILES
O=C(O)c1ccccc1OCc1cnc(Cl)s1- InChIKey
ZPDAGJCCVJCZJT-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO3S
- Average molar mass
- 269.7 g/mol
- Monoisotopic mass
- 268.991342
Names & identifiers
- Preferred name
- 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzoic Acid
- IUPAC
- 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzoic acid
- English name
- 2-[(2-CHLORO-1,3-THIAZOL-5-YL)METHOXY]BENZENECARBOXYLIC ACID
- Molecular formula
- C11H8ClNO3S
- Molecular weight
- 269.7
Names & synonyms
886360-91-42-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzoic Acid2-((2-Chlorothiazol-5-yl)methoxy)benzoic acid2-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-benzenecarboxylic acidMFCD056638012-[(2-chlorothiazol-5-yl)methoxy]benzoic acid2-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzenecarboxylic acidDTXSID60377402AKOS005071175CS-03640332-((2-Chlorothiazol-5-yl)methoxy)benzoicacid7X-0056
Show more names
Benzoic acid, 2-[(2-chloro-5-thiazolyl)methoxy]-
2-[(2-chloro-1,3-thiazol-5-yl)methoxy]benzene carboxylic acid
Database identifiers
- CAS
886360-91-4- PubChem CID
- 2764321
- DTXSID
DTXSID60377402
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 130 · 130-131°C
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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