| CAS Number | 71360-30-0 |
| Catalog Number | AG01B2AN(AGN-PC-0L7SWI) |
| Chemical Name | 4-(heptafluoropropan-2-yl)phenol |
| IUPAC Name | 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol |
| InChI | InChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-1-3-6(17)4-2-5/h1-4,17H |
| InChI Key | HMCZBEORMIKDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD00625832 |
| Molecular Formula | C9H5F7O |
| Molecular Weight | 262.1242 |
| SMILES | OC1=CC=C(C(C(F)(F)F)(C(F)(F)F)F)C=C1 |
| Synonyms | 4-(heptafluoropropan-2-yl)phenol,
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol,
71360-30-0,
AC1N6W5D,
4-(heptafluoroisopropyl)phenol,
SCHEMBL1024574,
HMCZBEORMIKDPZ-UHFFFAOYSA-N,
ZINC4676396,
STK096002,
AKOS005395977,
MCULE-9283386427,
ZINC04676396,
CID4241550,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.127g/mol |
| Monoisotopic Mass | 262.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number