| CAS Number | 886364-40-5 |
| Catalog Number | AG00IF9V(AGN-PC-0WNOQM) |
| Chemical Name | 5-(Bromomethyl)-3-(2-methoxyphenyl)isoxazole |
| IUPAC Name | 5-(bromomethyl)-3-(2-methoxyphenyl)-1,2-oxazole |
| InChI | InChI=1S/C11H10BrNO2/c1-14-11-5-3-2-4-9(11)10-6-8(7-12)15-13-10/h2-6H,7H2,1H3 |
| InChI Key | RFAJCMXDKDXRQT-UHFFFAOYSA-N |
| MDL Number | MFCD06738512 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | COC1=C(C2=NOC(CBr)=C2)C=CC=C1 |
| Synonyms | 5-(bromomethyl)-3-(2-methoxyphenyl)isoxazole,
886364-40-5,
5-(BROMOMETHYL)-3-(2-METHOXYPHENYL)-1,2-OXAZOLE,
CTK7B0964,
AC1Q4580,
MFCD06738512,
ZINC12504970,
AKOS009088114,
AB27279,
NE62375,
EN300-24229,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number