| CAS Number | 54305-91-8 |
| Catalog Number | AG01B9LA(AGN-PC-0KKWS0) |
| Chemical Name | 1,4-Dichloro-4-methylpentane |
| IUPAC Name | 1,4-dichloro-4-methylpentane |
| InChI | InChI=1S/C6H12Cl2/c1-6(2,8)4-3-5-7/h3-5H2,1-2H3 |
| InChI Key | QMQDOJKBGXQCRR-UHFFFAOYSA-N |
| MDL Number | MFCD00204041 |
| Molecular Formula | C6H12Cl2 |
| Molecular Weight | 155.0655 |
| SMILES | CC(CCCCl)(Cl)C |
| Synonyms | 1,4-dichloro-4-methylpentane,
54305-91-8,
1,4-dichloro-4-methyl-pentane,
i-hexylyl chloride,
AC1MCQ55,
SCHEMBL11014970,
CTK6H7787,
ZINC2557574,
MFCD00204041,
AKOS006221015,
CID2775315,
|
| Complexity | 59.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.062g/mol |
| Monoisotopic Mass | 154.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number