| CAS Number | 59608-85-4 |
| Catalog Number | AG00EJGV(AGN-PC-0OCXX3) |
| Chemical Name | (4-(trifluoromethyl)-1H-imidazol-5-yl)methanol |
| IUPAC Name | [4-(trifluoromethyl)-1H-imidazol-5-yl]methanol |
| InChI | InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(1-11)9-2-10-4/h2,11H,1H2,(H,9,10) |
| InChI Key | LOQHFYRPMOANSF-UHFFFAOYSA-N |
| MDL Number | MFCD16618605 |
| Molecular Formula | C5H5F3N2O |
| Molecular Weight | 166.1012 |
| SMILES | OCC1=C(C(F)(F)F)N=CN1 |
| Synonyms | 59608-85-4,
(4-(trifluoromethyl)-1H-imidazol-5-yl)methanol,
[4-(Trifluoromethyl)-1H-imidazol-5-yl]methanol,
1H-Imidazole-4-methanol, 5-(trifluoromethyl)-,
LOQHFYRPMOANSF-UHFFFAOYSA-N,
AC1LC9VX,
Imidazole, 5-hydroxymethyl-4-trifluoromethyl-,
SCHEMBL4960743,
SCHEMBL9459910,
CTK1E6998,
DTXSID60344477,
KS-00001AU5,
MFCD16618605,
ZINC32206133,
AKOS015966776,
[4-(Trifluoromethyl)-1H-imidazol-5-yl]methanol #,
Z2492774637,
CID597196,
5-(trifluoromethyl)-1H-Imidazole-4-methanol,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.103g/mol |
| Monoisotopic Mass | 166.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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