| CAS Number | 1044507-52-9 |
| Catalog Number | AG00993O(AGN-PC-09TP0I) |
| Chemical Name | 3-(3-Bromophenyl)oxetane |
| IUPAC Name | 3-(3-bromophenyl)oxetane |
| InChI | InChI=1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2 |
| InChI Key | IKNHAXGIHOUCCX-UHFFFAOYSA-N |
| MDL Number | MFCD17012864 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | BrC1=CC(C2COC2)=CC=C1 |
| Synonyms | 3-(3-Bromophenyl)oxetane,
1044507-52-9,
3-(3-Bromo-phenyl)-oxetane,
SCHEMBL1810741,
AMOT00009,
DTXSID90703912,
IKNHAXGIHOUCCX-UHFFFAOYSA-N,
MFCD17012864,
ZINC66309153,
AKOS025290129,
AM85460,
FCH1351675,
PB34845,
KS-0000070B,
AK172247,
AS-32755,
OR312164,
CS-0051763,
FT-0756633,
Q-3607,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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