| CAS Number | 628-50-2 |
| Catalog Number | AG00ELOS(AGN-PC-0NIUW1) |
| Chemical Name | Chloro(3-methylbutoxy)methanone |
| IUPAC Name | 3-methylbutyl carbonochloridate |
| InChI | InChI=1S/C6H11ClO2/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3 |
| InChI Key | KCCKTIKZOIPZTG-UHFFFAOYSA-N |
| MDL Number | MFCD07776970 |
| Molecular Formula | C6H11ClO2 |
| Molecular Weight | 150.6033 |
| SMILES | ClC(=O)OCCC(C)C |
| Synonyms | Isopentyl chloroformate,
628-50-2,
3-methylbutyl chloroformate,
Carbonochloridic acid, 3-methylbutyl ester,
isoamyl chlorocarbonate,
SCHEMBL217499,
KCCKTIKZOIPZTG-UHFFFAOYSA-N,
chlorocarbonic acid isopentyl ester,
6828AJ,
MFCD07776970,
ZINC39218692,
AKOS006284655,
CS-11875,
MFCD07776970 (tech. 90%),
SY032117,
C6H11ClO2,
Carbonochloridicacid,3-methylbutylester,
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| Complexity | 91.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.602g/mol |
| Monoisotopic Mass | 150.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number