Basic information
- CAS
35195-84-7- Standard SMILES
COc1ccc(-c2nc(-c3ccccc3)cs2)cc1C(=O)O- InChIKey
XNCHVTVPLVMSPD-UHFFFAOYSA-N- Molecular formula
- C17H13NO3S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.06161445
Names & identifiers
- Preferred name
- Benzoic acid, 2-methoxy-5-(4-phenyl-2-thiazolyl)-
- IUPAC
- 2-methoxy-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
Names & synonyms
Benzoic acid, 2-methoxy-5-(4-phenyl-2-thiazolyl)-2-Methoxy-5-(4-phenyl-2-thiazolyl)benzoic acid35195-84-75-(4-Phenyl-2-thiazolyl)-2-methoxy-benzoesaeure [German]DTXSID001886955-(4-Phenyl-2-thiazolyl)-2-methoxy-benzoesaeureRefChem:326925DTXCID601111862-methoxy-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
Database identifiers
- CAS
35195-84-7- PubChem CID
- 215201
- DTXSID
DTXSID00188695
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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