| CAS Number | 51806-20-3 |
| Catalog Number | AG00I99P(AGN-PC-0NJ7BG) |
| Chemical Name | Ethane, 1,1-diethoxy-2-iodo- |
| IUPAC Name | 1,1-diethoxy-2-iodoethane |
| InChI | InChI=1S/C6H13IO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3 |
| InChI Key | FWNJFIHTBFQKJD-UHFFFAOYSA-N |
| MDL Number | MFCD21648225 |
| Molecular Formula | C6H13IO2 |
| Molecular Weight | 244.0707 |
| SMILES | C(C)OC(CI)OCC |
| Synonyms | 1,1-diethoxy-2-iodoethane,
51806-20-3,
Ethane, 1,1-diethoxy-2-iodo-,
iodoacetaldehyde diethyl acetal,
2-iodo-1,1-diethoxyethane,
iodo acetaldehyde diethylacetal,
C6H13IO2,
SCHEMBL6249034,
CTK1G3992,
DTXSID20500678,
FWNJFIHTBFQKJD-UHFFFAOYSA-N,
4776AE,
ZINC37631419,
AKOS024438747,
FT-0685260,
J-504803,
1-Iodo-3-methoxy-2-(methoxymethyl)propane,
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| Complexity | 53 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.072g/mol |
| Monoisotopic Mass | 243.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number