| CAS Number | 1123172-43-9 |
| Catalog Number | AG00HCDS(AGN-PC-0WCJWZ) |
| Chemical Name | 3-(3-bromophenyl)-3-methyloxetane |
| IUPAC Name | 3-(3-bromophenyl)-3-methyloxetane |
| InChI | InChI=1S/C10H11BrO/c1-10(6-12-7-10)8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3 |
| InChI Key | BYQATFJUFANHBN-UHFFFAOYSA-N |
| MDL Number | MFCD26959162 |
| Molecular Formula | C10H11BrO |
| Molecular Weight | 227.0977 |
| SMILES | CC1(COC1)C1=CC=CC(Br)=C1 |
| Synonyms | 3-(3-bromophenyl)-3-methyloxetane,
1123172-43-9,
SCHEMBL3647973,
BYQATFJUFANHBN-UHFFFAOYSA-N,
MFCD26959162,
ZINC142662719,
3-(3-Bromo-phenyl)-3-methyl-oxetane,
FCH2487492,
SB21806,
AK171784,
AS-46625,
OR312170,
CS-0051767,
KS-00000827,
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| Complexity | 165 |
| 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