| CAS Number | 848074-36-2 |
| Catalog Number | AG01EXRO(AGN-PC-0BV9VK) |
| Chemical Name | 1-(Trifluoromethyl)cyclopropanecarbonyl chloride |
| IUPAC Name | 1-(trifluoromethyl)cyclopropane-1-carbonyl chloride |
| InChI | InChI=1S/C5H4ClF3O/c6-3(10)4(1-2-4)5(7,8)9/h1-2H2 |
| InChI Key | UDPCIPDJGNJPBG-UHFFFAOYSA-N |
| MDL Number | MFCD20484747 |
| Molecular Formula | C5H4ClF3O |
| Molecular Weight | 172.5329 |
| SMILES | C(F)(F)(F)C1(C(=O)Cl)CC1 |
| Synonyms | 848074-36-2,
1-Trifluoromethylcyclopropane-1-carbonyl chloride,
1-(trifluoromethyl)cyclopropanecarbonyl chloride,
1-trifluoromethylcyclopropanecarbonyl chloride,
SCHEMBL690946,
ZINC95836278,
AKOS030228880,
SB13835,
1-trifluoromethyl-cyclopropanecarbonyl chloride,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.531g/mol |
| Monoisotopic Mass | 171.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number