| CAS Number | 1000504-35-7 |
| Catalog Number | AG0000O7(AGN-PC-0WCRSY) |
| Chemical Name | 2-(4-Fluoropyridin-2-yl)acetonitrile |
| IUPAC Name | 2-(4-fluoropyridin-2-yl)acetonitrile |
| InChI | InChI=1S/C7H5FN2/c8-6-2-4-10-7(5-6)1-3-9/h2,4-5H,1H2 |
| InChI Key | LQGRHTVMEHLBMT-UHFFFAOYSA-N |
| MDL Number | MFCD09924401 |
| Molecular Formula | C7H5FN2 |
| Molecular Weight | 136.1264 |
| SMILES | FC1=CC(CC#N)=NC=C1 |
| Synonyms | 2-(4-fluoropyridin-2-yl)acetonitrile,
1000504-35-7,
4-Fluoropyridine-2-acetonitrile,
DTXSID80717189,
2-Pyridineacetonitrile, 4-fluoro-,
(4-Fluoropyridin-2-yl)acetonitrile,
FCH877699,
MFCD09924401,
ZINC44371538,
AKOS006312829,
DS-6933,
RL00006,
AK131472,
AJ-109671,
AX8252395,
J-506005,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.129g/mol |
| Monoisotopic Mass | 136.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P280
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UN Code
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Certificate of Analysis
Lot Number