| CAS Number | 1093878-32-0 |
| Catalog Number | AG008XPL(AGN-PC-0WBRDP) |
| Chemical Name | 3-(4-Bromophenyl)oxetan-3-ol |
| IUPAC Name | 3-(4-bromophenyl)oxetan-3-ol |
| InChI | InChI=1S/C9H9BrO2/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4,11H,5-6H2 |
| InChI Key | KNQDDTUCGFNECR-UHFFFAOYSA-N |
| MDL Number | MFCD16657878 |
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 229.0706 |
| SMILES | OC1(COC1)c1ccc(cc1)Br |
| Synonyms | 3-(4-BROMOPHENYL)OXETAN-3-OL,
1093878-32-0,
SCHEMBL744149,
3-Oxetanol,3-(4-bromophenyl)-,
KNQDDTUCGFNECR-UHFFFAOYSA-N,
3-(4-bromo-phenyl)-oxetan-3-ol,
MFCD16657878,
ZINC95627019,
AKOS016015801,
PB11174,
KS-000007R5,
AS-32749,
DA-15669,
AJ-132937,
CS-0051748,
FT-0734932,
ST24041456,
Q-4055,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.073g/mol |
| Monoisotopic Mass | 227.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number