| CAS Number | 1228182-61-3 |
| Catalog Number | AG00IS9N(AGN-PC-0WAZCY) |
| Chemical Name | [3-Chloro-4-(trifluoromethyl)-2-pyridinyl]methanol |
| IUPAC Name | [3-chloro-4-(trifluoromethyl)pyridin-2-yl]methanol |
| InChI | InChI=1S/C7H5ClF3NO/c8-6-4(7(9,10)11)1-2-12-5(6)3-13/h1-2,13H,3H2 |
| InChI Key | UZGLGJAXMRKALC-UHFFFAOYSA-N |
| MDL Number | MFCD16622807 |
| Molecular Formula | C7H5ClF3NO |
| Molecular Weight | 211.5689 |
| SMILES | ClC1(=C(C=CN=C1CO)C(F)(F)F) |
| Synonyms | [3-chloro-4-(trifluoromethyl)-2-pyridinyl]methanol,
1228182-61-3,
[3-chloro-4-(trifluoromethyl)pyridin-2-yl]methanol,
CTK8A3373,
KS-00001Q2B,
ZX-RL000102,
MFCD16622807,
SBB094529,
ZINC52507814,
AKOS015848949,
EE-0747,
FCH1346387,
MCULE-9284489199,
RP12298,
PC200302,
TR-071216,
3-Chloro-4-(trifluoromethyl)pyridine-2-methanol,
[3-chloro-4-(trifluoromethyl)-2-pyridyl]methan-1-ol,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.568g/mol |
| Monoisotopic Mass | 211.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number