| CAS Number | 1094382-35-0 |
| Catalog Number | AG018RYB(AGN-PC-0WODGT) |
| Chemical Name | 5-(3-bromophenyl)-2-(chloromethyl)-1,3-oxazole |
| IUPAC Name | 5-(3-bromophenyl)-2-(chloromethyl)-1,3-oxazole |
| InChI | InChI=1S/C10H7BrClNO/c11-8-3-1-2-7(4-8)9-6-13-10(5-12)14-9/h1-4,6H,5H2 |
| InChI Key | DSKOVLHBUFQRFV-UHFFFAOYSA-N |
| MDL Number | MFCD09835618 |
| Molecular Formula | C10H7BrClNO |
| Molecular Weight | 272.5257 |
| SMILES | ClCC1OC(C2=CC(Br)=CC=C2)=CN=1 |
| Synonyms | 5-(3-bromophenyl)-2-(chloromethyl)-1,3-oxazole,
1094382-35-0,
ZINC36903566,
AKOS009317069,
NE14533,
EN300-91413,
F8881-7116,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.526g/mol |
| Monoisotopic Mass | 270.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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