| CAS Number | 585532-19-0 |
| Catalog Number | AG00EPCS(AGN-PC-0OCQP3) |
| Chemical Name | 3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-ol |
| IUPAC Name | 3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-ol |
| InChI | InChI=1S/C6H7F3O/c7-6(8,9)4-1-5(10,2-4)3-4/h10H,1-3H2 |
| InChI Key | BVZRNAJOJZWRKG-UHFFFAOYSA-N |
| MDL Number | MFCD18826719 |
| Molecular Formula | C6H7F3O |
| Molecular Weight | 152.1144 |
| SMILES | FC(C12CC(C1)(C2)O)(F)F |
| Synonyms | 585532-19-0,
3-(TRIFLUOROMETHYL)BICYCLO[1.1.1]PENTAN-1-OL,
SB22180,
CS-0051646,
Bicyclo[1.1.1]entan-1-l, 3-(trifluoromethyl)-,
Bicyclo[1.1.1]pentan-1-ol, 3-(trifluoromethyl)-,
Bicyclo[1.1.1]pentan-1-ol,3- -,
Bicyclo[1.1.1]pentan-1-ol, 3-(trifluoromethyl)- (9CI),
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.116g/mol |
| Monoisotopic Mass | 152.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number