| CAS Number | 41693-47-4 |
| Catalog Number | AG0071DV(AGN-PC-0WBSNA) |
| Chemical Name | Hexanoyl chloride,2-methyl- |
| IUPAC Name | 2-methylhexanoyl chloride |
| InChI | InChI=1S/C7H13ClO/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3 |
| InChI Key | WKEBLSOTVYFYKY-UHFFFAOYSA-N |
| MDL Number | MFCD01318644 |
| Molecular Formula | C7H13ClO |
| Molecular Weight | 148.6305 |
| SMILES | CCCCC(C)C(Cl)=O |
| Synonyms | 2-methylhexanoyl Chloride,
41693-47-4,
2-Methylcaproyl chloride,
MFCD01318644,
AC1MQW7S,
2-methyl hexanoyl chloride,
Hexanoyl chloride,2-methyl-,
AC1Q2V83,
SCHEMBL1409399,
CTK4I5143,
DTXSID60392675,
WKEBLSOTVYFYKY-UHFFFAOYSA-N,
AKOS006344443,
SC-40559,
FT-0691804,
M23400,
CID3458543,
|
| Complexity | 90.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.63g/mol |
| Monoisotopic Mass | 148.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number