| CAS Number | 944903-23-5 |
| Catalog Number | AG01B9UX(AGN-PC-0WCBCP) |
| Chemical Name | 6-bromo-2-(chloromethyl)-1,3-benzoxazole |
| IUPAC Name | 6-bromo-2-(chloromethyl)-1,3-benzoxazole |
| InChI | InChI=1S/C8H5BrClNO/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4H2 |
| InChI Key | RLVYPVDIOCNSDL-UHFFFAOYSA-N |
| MDL Number | MFCD10696615 |
| Molecular Formula | C8H5BrClNO |
| Molecular Weight | 246.4884 |
| SMILES | ClCC1OC2=C(C=CC(=C2)Br)N=1 |
| Synonyms | 944903-23-5,
2-(Chloromethyl)-6-bromo-1,3-benzoxazole,
6-bromo-2-(chloromethyl)benzoxazole,
6-BROMO-2-(CHLOROMETHYL)-1,3-BENZOXAZOLE,
CTK6H6911,
SBB054956,
ZINC40448096,
AB57763,
SY130191,
MFCD10696615 (95%),
6-BROMO-2-(CHLOROMETHYL)BENZO[D]OXAZOLE,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.488g/mol |
| Monoisotopic Mass | 244.924g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number