| CAS Number | 86571-80-4 |
| Catalog Number | AG01BBQ9(AGN-PC-0KKNBF) |
| Chemical Name | 3-Methoxycyclohexane-1-carbonyl chloride |
| IUPAC Name | 3-methoxycyclohexane-1-carbonyl chloride |
| InChI | InChI=1S/C8H13ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h6-7H,2-5H2,1H3 |
| InChI Key | JOZLFZQRVYHFFA-UHFFFAOYSA-N |
| MDL Number | MFCD03424699 |
| Molecular Formula | C8H13ClO2 |
| Molecular Weight | 176.6406 |
| SMILES | COC1CC(C(Cl)=O)CCC1 |
| Synonyms | 3-methoxycyclohexane-1-carbonyl chloride,
86571-80-4,
AC1MC0PJ,
SCHEMBL5825062,
3-methoxycyclohexanecarbonyl chloride,
DA-02313,
FT-0767885,
ZINC04267830,
Cyclohexanecarbonylchloride,3-methoxy-,
CID2759569,
Cyclohexanecarbonyl chloride, 3-methoxy- (9CI),
|
| Complexity | 147 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number