| CAS Number | 1262410-27-4 |
| Catalog Number | AG01C492 |
| Chemical Name | 4-(bromomethyl)-4-methyloxane |
| IUPAC Name | 4-(bromomethyl)-4-methyloxane |
| InChI | InChI=1S/C7H13BrO/c1-7(6-8)2-4-9-5-3-7/h2-6H2,1H3 |
| InChI Key | CHVXBTYXHHPSCW-UHFFFAOYSA-N |
| MDL Number | MFCD18374725 |
| Molecular Formula | C7H13BrO |
| Molecular Weight | 193.0815 |
| SMILES | CC1(CCOCC1)CBr |
| Synonyms | 4-(bromomethyl)-4-methyloxane,
1262410-27-4,
4-(Bromomethyl)-4-methyltetrahydro-2H-pyran,
ZINC83137902,
AKOS014316121,
2h-pyran, 4-(bromomethyl)tetrahydro-4-methyl-,
|
| Complexity | 86.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
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Certificate of Analysis
Lot Number