Completing data — usually done within a minute
Basic information
- CAS
28077-43-2- Standard SMILES
Cc1nc(-c2ccc(Cl)c(C(=O)O)c2)cs1- InChIKey
YHSICJIHHKUPAU-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2S
- Average molar mass
- 253.71 g/mol
- Monoisotopic mass
- 252.9964274
Names & identifiers
- Preferred name
- 2-Chloro-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
- IUPAC
- 2-chloro-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
Names & synonyms
28077-43-2Benzoic acid, 2-chloro-5-(2-methyl-4-thiazolyl)-2-Chloro-5-(2-methyl-1,3-thiazol-4-yl)benzoic acidSCHEMBL4458525DTXSID50593775YHSICJIHHKUPAU-UHFFFAOYSA-NDB-4232082-Chloro-5-(2-methyl-4-thiazolyl)benzoic acid2-Chloro-5-(2-methyl-thiazol-4-yl)-benzoic acid
Database identifiers
- CAS
28077-43-2- PubChem CID
- 18438656
- DTXSID
DTXSID50593775
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Related reactions
6 records
Compound notes
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