2-[2-(4-Chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetic acid
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Basic information
- CAS
259655-35-1- Standard SMILES
Cc1sc(-c2ccc(Cl)cc2)nc1CC(=O)O- InChIKey
WWDOGPMSTOQZLQ-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2S
- Average molar mass
- 267.73 g/mol
- Monoisotopic mass
- 267.0120774
Names & identifiers
- Preferred name
- 2-[2-(4-Chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetic acid
- IUPAC
- 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetic acid
- English name
- [2-(4-Chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetic acid
- Molecular formula
- C12H10ClNO2S
- Molecular weight
- 267.73
Names & synonyms
259655-35-12-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetic acid2-(2-(4-Chlorophenyl)-5-methylthiazol-4-yl)acetic acidMFCD00728866[2-(4-Chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetic acid2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol -4-yl]acetic acidMaybridge3_006596Oprea1_071540SCHEMBL3065774HMS1449L18AKOS005072236CCG-245526
Show more names
4-Thiazoleacetic acid, 2-(4-chlorophenyl)-5-methyl-4-(Carboxymethyl)-2-(4-chlorophenyl)-5-methyl-1,3-thiazole, 2-[2-(4-Chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanoic acid
DA-0720IDI1_017983CS-03238522-(2-(4-Chlorophenyl)-5-methylthiazol-4-yl)aceticacid2-[2-(4-chlorophenyl)-5-methyl-thiazol-4-yl]acetic acid
Database identifiers
- CAS
259655-35-1- PubChem CID
- 2741311
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 155 · 155~156℃
- Boiling point
- 456.6 · 456.6±55.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2934100090 · 2934100090
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
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
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Related reactions
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Compound notes
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