| CAS Number | 457628-50-1 |
| Catalog Number | AG01B7I8(AGN-PC-03RYTI) |
| Chemical Name | 1,3-DIFLUORO-5-(2-PROPYN-1-YLOXY)-BENZENE |
| IUPAC Name | 1,3-difluoro-5-prop-2-ynoxybenzene |
| InChI | InChI=1S/C9H6F2O/c1-2-3-12-9-5-7(10)4-8(11)6-9/h1,4-6H,3H2 |
| InChI Key | ZOFTWFDLBJRYJI-UHFFFAOYSA-N |
| MDL Number | MFCD17216189 |
| Molecular Formula | C9H6F2O |
| Molecular Weight | 168.1401 |
| SMILES | FC1=CC(OCC#C)=CC(F)=C1 |
| Synonyms | 457628-50-1,
1,3-Difluoro-5-(2-propyn-1-yloxy)-benzene,
1,3-difluoro-5-(prop-2-yn-1-yloxy)benzene,
SCHEMBL1477458,
ZOFTWFDLBJRYJI-UHFFFAOYSA-N,
ZINC54932291,
AKOS012077791,
1,3-difluoro-5-prop-2-ynyloxybenzene,
1,3-difluoro-5-prop-2-ynyloxy-benzene,
1,3-Difluoro-5-(2-propyn-1-yloxy)benzene,
Z1696107811,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.143g/mol |
| Monoisotopic Mass | 168.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number