| CAS Number | 872882-97-8 |
| Catalog Number | AG00IEGT(AGN-PC-0CRS1T) |
| Chemical Name | Oxetane, 3-(4-bromophenyl)-3-methyl- |
| IUPAC Name | 3-(4-bromophenyl)-3-methyloxetane |
| InChI | InChI=1S/C10H11BrO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3 |
| InChI Key | PJUDQBGOXZAYIJ-UHFFFAOYSA-N |
| MDL Number | MFCD16038703 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | CC1(C2=CC=C(Br)C=C2)COC1 |
| Synonyms | 3-(4-bromophenyl)-3-methyloxetane,
872882-97-8,
3-(4-Bromophenyl)-3-methyl-oxetane,
Oxetane, 3-(4-bromophenyl)-3-methyl-,
SCHEMBL13473,
PJUDQBGOXZAYIJ-UHFFFAOYSA-N,
KS-000007UB,
MFCD26393310,
ZINC96372400,
3-(4-Bromo-phenyl)3-methyl-oxetane,
AKOS025291250,
FCH2427741,
AK171706,
AS-43092,
OR312169,
CS-0051751,
3-(4-bromo-phenyl)-3-methyl-oxetane,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.101g/mol |
| Monoisotopic Mass | 225.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number