| CAS Number | 372120-52-0 |
| Catalog Number | AG00I7CI(AGN-PC-01NPV1) |
| Chemical Name | 3-Iodo-4-(trifluoromethyl)benzyl alcohol |
| IUPAC Name | [3-iodo-4-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6F3IO/c9-8(10,11)6-2-1-5(4-13)3-7(6)12/h1-3,13H,4H2 |
| InChI Key | BWKLQWPKQYHQHM-UHFFFAOYSA-N |
| MDL Number | MFCD18398175 |
| Molecular Formula | C8H6F3IO |
| Molecular Weight | 302.0323 |
| SMILES | OCC1=CC(I)=C(C=C1)C(F)(F)F |
| Synonyms | 3-Iodo-4-(trifluoromethyl)benzyl alcohol,
372120-52-0,
(3-Iodo-4-(trifluoromethyl)phenyl)methanol,
[3-iodo-4-(trifluoromethyl)phenyl]methanol,
SCHEMBL7151370,
BWKLQWPKQYHQHM-UHFFFAOYSA-N,
ZX-AP009877,
MFCD18398175,
ZINC95917670,
AKOS027385185,
FCH1372477,
PC10672,
PS-11522,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.035g/mol |
| Monoisotopic Mass | 301.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number