| CAS Number | 1050494-70-6 |
| Catalog Number | AG00HAKJ |
| Chemical Name | 4-(Bromomethyl)-2,2-dimethyltetrahydro-2H-pyran |
| IUPAC Name | 4-(bromomethyl)-2,2-dimethyloxane |
| InChI | InChI=1S/C8H15BrO/c1-8(2)5-7(6-9)3-4-10-8/h7H,3-6H2,1-2H3 |
| InChI Key | WOYFLWORBWUVJY-UHFFFAOYSA-N |
| MDL Number | MFCD21776109 |
| Molecular Formula | C8H15BrO |
| Molecular Weight | 207.1081 |
| SMILES | CC1(OCCC(CBr)C1)C |
| Synonyms | 4-(Bromomethyl)-2,2-dimethyltetrahydro-2H-pyran,
1050494-70-6,
4-(bromomethyl)-2,2-dimethyloxane,
SCHEMBL2199692,
WOYFLWORBWUVJY-UHFFFAOYSA-N,
AKOS015814279,
FT-0712158,
4-(bromomethyl)tetrahydro-2,2-dimethyl-2H-Pyran,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.111g/mol |
| Monoisotopic Mass | 206.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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