| CAS Number | 753501-37-0 |
| Catalog Number | AG005BYJ(AGN-PC-07AEI2) |
| Chemical Name | Benzenamine,4-ethynyl-2,6-difluoro- |
| IUPAC Name | 4-ethynyl-2,6-difluoroaniline |
| InChI | InChI=1S/C8H5F2N/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H,11H2 |
| InChI Key | QGXKGXSOQYMBCK-UHFFFAOYSA-N |
| MDL Number | MFCD08703479 |
| Molecular Formula | C8H5F2N |
| Molecular Weight | 153.1288 |
| SMILES | NC1=C(F)C=C(C#C)C=C1F |
| Synonyms | 4-ethynyl-2,6-difluoroaniline,
753501-37-0,
4-ethynyl-2,6-difluoro-phenylamine,
Benzenamine,4-ethynyl-2,6-difluoro-,
CTK5E1469,
DTXSID60666646,
4-ethynyl-2,6-difluorophenylamine,
4-Amino-3,5-difluorophenylacetylene,
MFCD08703479,
ZINC36533533,
AKOS006240225,
NE14030,
Benzenamine, 4-ethynyl-2,6-difluoro- (9CI),
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.132g/mol |
| Monoisotopic Mass | 153.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number