| CAS Number | 1057641-71-0 |
| Catalog Number | AG00HAPI(AGN-PC-0WCJCT) |
| Chemical Name | 2-(bromomethyl)-5,8-dioxaspiro[3.4]octane |
| IUPAC Name | 2-(bromomethyl)-5,8-dioxaspiro[3.4]octane |
| InChI | InChI=1S/C7H11BrO2/c8-5-6-3-7(4-6)9-1-2-10-7/h6H,1-5H2 |
| InChI Key | MKHPFTGDMWUGRW-UHFFFAOYSA-N |
| MDL Number | MFCD23106219 |
| Molecular Formula | C7H11BrO2 |
| Molecular Weight | 207.0650 |
| SMILES | BrCC1CC2(OCCO2)C1 |
| Synonyms | 2-(bromomethyl)-5,8-dioxaspiro[3.4]octane,
1057641-71-0,
2-Bromomethyl-5,8-dioxaspiro[3.4]octane,
SCHEMBL583602,
MKHPFTGDMWUGRW-UHFFFAOYSA-N,
KS-000007QO,
MFCD23106219,
ZINC95644284,
FCH1658030,
PB35528,
SB21046,
AK171628,
AS-34793,
OR317132,
CS-0052245,
Q-2034,
2-Bromomethyl-5,8-dioxaspiro[3.4]octane, AldrichCPR,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.067g/mol |
| Monoisotopic Mass | 205.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number