| CAS Number | 1135283-18-9 |
| Catalog Number | AG0090YN(AGN-PC-0WAXVA) |
| Chemical Name | 3-Chloro-2-ethynyl-5-(trifluoromethyl)pyridine |
| IUPAC Name | 3-chloro-2-ethynyl-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C8H3ClF3N/c1-2-7-6(9)3-5(4-13-7)8(10,11)12/h1,3-4H |
| InChI Key | MGBAONQLGHVNRS-UHFFFAOYSA-N |
| MDL Number | MFCD11840989 |
| Molecular Formula | C8H3ClF3N |
| Molecular Weight | 205.5643 |
| SMILES | FC(C1=CN=C(C#C)C(Cl)=C1)(F)F |
| Synonyms | 3-chloro-2-ethynyl-5-(trifluoromethyl)pyridine,
1135283-18-9,
SCHEMBL17180597,
CTK5J0650,
chloroethynyltrifluoromethylpyridine,
KS-00001PU8,
ZX-AP009813,
MFCD11840989,
SBB093536,
ZINC32911360,
AKOS005071730,
AD-5008,
FCH1405889,
MCULE-1377366728,
PC49536,
RP11974,
AJ-85552,
TR-064269,
[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]acetylene,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.564g/mol |
| Monoisotopic Mass | 204.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number