Basic information
- CAS
168127-38-6- Standard SMILES
O=C(O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1- InChIKey
LVLVXZIMRQHNEJ-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O3S
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.0335411
Names & identifiers
- Preferred name
- Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-
- IUPAC
- 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
- English name
- 2-[4-[2-[(4-chlorophenyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
- Molecular formula
- C17H13ClN2O3S
- Molecular weight
- 360.81
Names & synonyms
168127-38-6Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-(4-(2-((4-Chlorophenyl)amino)-4-thiazolyl)phenoxy)acetic acidDTXSID20168499RefChem:316227DTXCID20909902-[4-[2-[(4-CHLOROPHENYL)AMINO]-1,3-THIAZOL-4-YL]PHENOXY]ACETIC ACID2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid{4-[2-(4-Chloroanilino)-1,3-thiazol-4-yl]phenoxy}acetic acidAcetic acid, 2-[4-[2-[(4-chlorophenyl)amino]-4-thiazolyl]phenoxy]-
Database identifiers
- CAS
168127-38-6- PubChem CID
- 3074902
- DTXSID
DTXSID20168499
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…