| CAS Number | 1240518-41-5 |
| Catalog Number | AG000LGR(AGN-PC-0C74Y3) |
| Chemical Name | 2,4-Difluoro-6-methoxybenzonitrile |
| IUPAC Name | 2,4-difluoro-6-methoxybenzonitrile |
| InChI | InChI=1S/C8H5F2NO/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-3H,1H3 |
| InChI Key | MHCGJOLEGDCKQA-UHFFFAOYSA-N |
| MDL Number | MFCD20486220 |
| Molecular Formula | C8H5F2NO |
| Molecular Weight | 169.1282 |
| SMILES | COC1=CC(F)=CC(F)=C1C#N |
| Synonyms | 2,4-DIFLUORO-6-METHOXYBENZONITRILE,
1240518-41-5,
SCHEMBL17992,
MHCGJOLEGDCKQA-UHFFFAOYSA-N,
MFCD20486220,
ZINC96028672,
Benzonitrile, 2,4-difluoro-6-methoxy-,
AS-42498,
X-2342,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.131g/mol |
| Monoisotopic Mass | 169.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number