| CAS Number | 1163703-60-3 |
| Catalog Number | AG01C49N |
| Chemical Name | 4-(5-Bromo-1,3-thiazol-2-yl)phenol |
| IUPAC Name | 4-(5-bromo-1,3-thiazol-2-yl)phenol |
| InChI | InChI=1S/C9H6BrNOS/c10-8-5-11-9(13-8)6-1-3-7(12)4-2-6/h1-5,12H |
| InChI Key | OTIWQHTZWDPATF-UHFFFAOYSA-N |
| MDL Number | MFCD21728862 |
| Molecular Formula | C9H6BrNOS |
| Molecular Weight | 256.1190 |
| SMILES | OC1=CC=C(C2SC(Br)=CN=2)C=C1 |
| Synonyms | 4-(5-bromo-1,3-thiazol-2-yl)phenol,
1163703-60-3,
SCHEMBL14157145,
4-(5-bromothiazol-2-yl)phenol,
OTIWQHTZWDPATF-UHFFFAOYSA-N,
ZINC85352153,
AKOS015564841,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.117g/mol |
| Monoisotopic Mass | 254.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number