| CAS Number | 30216-50-3 |
| Catalog Number | AG00VTTR(AGN-PC-0WBKLQ) |
| Chemical Name | 4-(3-bromophenyl)-1,3-thiazole |
| IUPAC Name | 4-(3-bromophenyl)-1,3-thiazole |
| InChI | InChI=1S/C9H6BrNS/c10-8-3-1-2-7(4-8)9-5-12-6-11-9/h1-6H |
| InChI Key | KSNVDVLNUFVSQW-UHFFFAOYSA-N |
| MDL Number | MFCD02665937 |
| Molecular Formula | C9H6BrNS |
| Molecular Weight | 240.1196 |
| SMILES | BrC1=CC(C2N=CSC=2)=CC=C1 |
| Synonyms | 4-(3-bromophenyl)-1,3-thiazole,
4-(3-Bromophenyl)thiazole,
30216-50-3,
AC1N0GPU,
SCHEMBL5322690,
ZINC1520196,
AKOS015948496,
MCULE-5179212452,
NS-03345,
EN300-79247,
CID3916777,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.118g/mol |
| Monoisotopic Mass | 238.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number