| CAS Number | 161949-56-0 |
| Catalog Number | AG00IQCV(AGN-PC-0WAR01) |
| Chemical Name | 4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]phenol |
| IUPAC Name | 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]phenol |
| InChI | InChI=1S/C12H7ClF3NO/c13-10-5-8(12(14,15)16)6-17-11(10)7-1-3-9(18)4-2-7/h1-6,18H |
| InChI Key | YGDVTBZQPRZRHT-UHFFFAOYSA-N |
| MDL Number | MFCD27924203 |
| Molecular Formula | C12H7ClF3NO |
| Molecular Weight | 273.6383 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)C2(=CC=C(O)C=C2)) |
| Synonyms | 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]phenol,
161949-56-0,
SCHEMBL6977861,
KS-00001SVF,
YGDVTBZQPRZRHT-UHFFFAOYSA-N,
ZINC34536300,
AKOS025393902,
12M-039,
3-Chloro-2-(4-hydroxyphenyl)-5-trifluoromethylpyridine,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.639g/mol |
| Monoisotopic Mass | 273.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number