| CAS Number | 1807941-88-3 |
| Catalog Number | AG01BFM8(AGN-PC-0WORU2) |
| Chemical Name | {[(1r,3r)-3-bromocyclobutoxy]methyl}benzene |
| IUPAC Name | (3-bromocyclobutyl)oxymethylbenzene |
| InChI | InChI=1S/C11H13BrO/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
| InChI Key | UVNCCVPQXGEHGE-UHFFFAOYSA-N |
| MDL Number | MFCD28118645 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | Br[C@@H]1C[C@@H](OCC2=CC=CC=C2)C1 |
| Synonyms | [(3-bromocyclobutoxy)methyl]benzene,
1443110-01-7,
((3-Bromocyclobutoxy)methyl)benzene,
MFCD21756709,
ZINC85513636,
AKOS015689123,
AKOS026742014,
ZINC100557503,
ZINC238856118,
SB15842,
KS-000005Z9,
AS-51583,
{[3-bromocyclobutoxy]methyl}benzene, trans,
Benzene, [[(3-bromocyclobutyl)oxy]methyl]-,
CS-0053054,
1807941-88-3,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number