| CAS Number | 6099-86-1 |
| Catalog Number | AG00ES0L(AGN-PC-0JLSI0) |
| Chemical Name | Cyclohexylmethyl chloroformate |
| EC Number | 228-052-1 |
| IUPAC Name | cyclohexylmethyl carbonochloridate |
| InChI | InChI=1S/C8H13ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h7H,1-6H2 |
| InChI Key | AOQONNCNKUWWRI-UHFFFAOYSA-N |
| MDL Number | MFCD24141267 |
| Molecular Formula | C8H13ClO2 |
| Molecular Weight | 176.6406 |
| SMILES | ClC(=O)OCC1CCCCC1 |
| Synonyms | Cyclohexylmethyl chloroformate,
6099-86-1,
cyclohexylmethyl carbonochloridate,
EINECS 228-052-1,
AC1L2YYG,
AC1Q3GCN,
cyclohexylmethyl chlorocarbonate,
SCHEMBL2937173,
ZINC31308401,
AKOS020226608,
Chloroformic acid cyclohexylmethyl ester,
C8H13ClO2,
C8-H13-Cl-O2,
CID80195,
AR-1I3170,
62669-75-4,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.64g/mol |
| Monoisotopic Mass | 176.06g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number