| CAS Number | 1864003-35-9 |
| Catalog Number | AG00J2VL(AGN-PC-0WRARL) |
| Chemical Name | rac-(1R,2R,4S)-2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane |
| IUPAC Name | (1R,2R,4S)-2-(bromomethyl)-7-oxabicyclo[2.2.1]heptane |
| InChI | InChI=1S/C7H11BrO/c8-4-5-3-6-1-2-7(5)9-6/h5-7H,1-4H2/t5-,6-,7+/m0/s1 |
| InChI Key | UHZMGDQVYYPBQQ-LYFYHCNISA-N |
| MDL Number | MFCD28897217 |
| Molecular Formula | C7H11BrO |
| Molecular Weight | 191.0656 |
| SMILES | O1[C@H]2CC[C@@H]1[C@@H](C2)CBr |
| Synonyms | rac-(1R,2r,4S)-2-(Bromomethyl)-7-oxabicyclo[2.2.1]heptane,
1864003-35-9,
MFCD28897217,
AKOS030631209,
ZINC215644205,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.068g/mol |
| Monoisotopic Mass | 189.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number