| CAS Number | 20412-39-9 |
| Catalog Number | AG0029AR(AGN-PC-0WBNIR) |
| Chemical Name | Carbonochloridic acid, 2-methylbutyl ester |
| IUPAC Name | 2-methylbutyl carbonochloridate |
| InChI | InChI=1S/C6H11ClO2/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3 |
| InChI Key | MQNLOOJFAVAAKD-UHFFFAOYSA-N |
| MDL Number | MFCD28127255 |
| Molecular Formula | C6H11ClO2 |
| Molecular Weight | 150.6033 |
| SMILES | O=C(Cl)OCC(C)CC |
| Synonyms | 2-methylbutyl chloroformate,
20412-39-9,
2-methylbutyl carbonochloridate,
2-methyl-butyl chloroformate,
SCHEMBL2779972,
MFCD28127255,
AKOS032455795,
CS-12077,
SY036985,
Carbonochloridic acid, 2-methylbutyl ester,
MFCD28127255 (Tech. 90%),
FT-0754494,
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| Complexity | 93.1 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number