| CAS Number | 1246210-02-5 |
| Catalog Number | AG01B3GA(AGN-PC-0WOLQC) |
| Chemical Name | 1,1-Difluoro-4-isocyanatocyclohexane |
| IUPAC Name | 1,1-difluoro-4-isocyanatocyclohexane |
| InChI | InChI=1S/C7H9F2NO/c8-7(9)3-1-6(2-4-7)10-5-11/h6H,1-4H2 |
| InChI Key | DMMOKMVFVOULFR-UHFFFAOYSA-N |
| MDL Number | MFCD24229585 |
| Molecular Formula | C7H9F2NO |
| Molecular Weight | 161.1493 |
| SMILES | FC1(CCC(N=C=O)CC1)F |
| Synonyms | 1,1-difluoro-4-isocyanatocyclohexane,
1246210-02-5,
SCHEMBL2808914,
DMMOKMVFVOULFR-UHFFFAOYSA-N,
AKOS024161254,
ZINC122481596,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.152g/mol |
| Monoisotopic Mass | 161.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number