| CAS Number | 31294-96-9 |
| Catalog Number | AG01AN2M(AGN-PC-0LTFAA) |
| Chemical Name | 2-iodo-4-methylpentane |
| IUPAC Name | 2-iodo-4-methylpentane |
| InChI | InChI=1S/C6H13I/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3 |
| InChI Key | HUVYLVIBZCVAKG-UHFFFAOYSA-N |
| MDL Number | MFCD24476617 |
| Molecular Formula | C6H13I |
| Molecular Weight | 212.0719 |
| SMILES | CC(CC(I)C)C |
| Synonyms | 2-iodo-4-methylpentane,
31294-96-9,
Pentane, 2-iodo-4-methyl,
SCHEMBL537705,
AC1O58Y6,
HUVYLVIBZCVAKG-UHFFFAOYSA-N,
1-Benzoyl-2-(1-pyrrolidinylmethyl)piperidine,
Pentane, 2-iodo-4-methyl-,
CID6429788,
1-Benzoyl-2-(pyrrolidinomethyl)piperidine,
|
| Complexity | 41.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.074g/mol |
| Monoisotopic Mass | 212.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number