| CAS Number | 1342158-87-5 |
| Catalog Number | AG009K1H(AGN-PC-0WCZ5Z) |
| Chemical Name | 1-Difluoromethoxy-2-ethynyl-benzene |
| IUPAC Name | 1-(difluoromethoxy)-2-ethynylbenzene |
| InChI | InChI=1S/C9H6F2O/c1-2-7-5-3-4-6-8(7)12-9(10)11/h1,3-6,9H |
| InChI Key | XMEAIJWQSPPMCQ-UHFFFAOYSA-N |
| MDL Number | MFCD17281928 |
| Molecular Formula | C9H6F2O |
| Molecular Weight | 168.1401 |
| SMILES | C#CC1=CC=CC=C1OC(F)F |
| Synonyms | 1-(difluoromethoxy)-2-ethynylbenzene,
1342158-87-5,
2-(Difluoromethoxy)phenylacetylene,
1-Difluoromethoxy-2-ethynyl-benzene,
SCHEMBL18297671,
MFCD17281928,
ZINC62605402,
AKOS012332935,
NE35822,
PS-11653,
F2147-2798,
Z1492807273,
ACN-045043,
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| Complexity | 182 |
| 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 | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number