| CAS Number | 5927-93-5 |
| Catalog Number | AG01ELVF(AGN-PC-0SRYTI) |
| Chemical Name | rac-(1R,2R)-1-bromo-2-methoxycyclohexane |
| IUPAC Name | (1R,2R)-1-bromo-2-methoxycyclohexane |
| InChI | InChI=1S/C7H13BrO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1 |
| InChI Key | DGMAOHYUXAZIFR-RNFRBKRXSA-N |
| MDL Number | MFCD31700116 |
| Molecular Formula | C7H13BrO |
| Molecular Weight | 193.0815 |
| SMILES | CO[C@H]1[C@H](Br)CCCC1 |
| Synonyms | Cyclohexane, 1-bromo-2-methoxy-, trans-,
5927-93-5,
Ether, 2-bromocyclohexyl methyl, trans-,
CTK1E7771,
DTXSID70499169,
DGMAOHYUXAZIFR-RNFRBKRXSA-N,
trans-1-Bromo-2-methoxycyclohexane,
ZINC1570149,
1-Bromo-2-methoxycyclohexane, (E)-,
1beta-Bromo-2alpha-methoxycyclohexane,
(1R,2R)-1-Bromo-2-methoxycyclohexane,
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| Complexity | 85 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.084g/mol |
| Monoisotopic Mass | 192.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number