Basic information
- CAS
17969-41-4- Standard SMILES
Cc1nc(-c2ccc(Cl)cc2)sc1CC(=O)O- InChIKey
PQLZUIFGDGNALU-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2S
- Average molar mass
- 267.73 g/mol
- Monoisotopic mass
- 267.0120774
Names & identifiers
- Preferred name
- 5-Thiazoleacetic acid, 2-(p-chlorophenyl)-4-methyl-
- IUPAC
- 2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
- English name
- 2-(p-Chlorophenyl)-4-methyl-5-thiazoleacetic acid
- Molecular weight
- 0
Names & synonyms
2-(p-Chlorophenyl)-4-methyl-5-thiazoleacetic acid17969-41-4BRN 11221135-THIAZOLEACETIC ACID, 2-(p-CHLOROPHENYL)-4-METHYL-DTXSID001708532-(4'-Chlorophenyl)-4-methylthiazole-5-acetic acidRefChem:304996DTXCID0093344PQLZUIFGDGNALU-UHFFFAOYSA-NAcide p-chlorophenyl-2 methyl-4-thiazole-acetique-52-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acidAcide p-chlorophenyl-2 methyl-4-thiazole-acetique-5 [French]
Show more names
SCHEMBL2069982AKOS0139899542-[2-(4-chlorophenyl)-4-methylthiazol-5-yl]acetic acid[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid #
Database identifiers
- CAS
17969-41-4- PubChem CID
- 28859
- DTXSID
DTXSID00170853- Nikkaji
- J59.588H
Properties
Computed structural properties
- 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
Related reactions
2 records
Compound notes
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