| CAS Number | 153587-50-9 |
| Catalog Number | AG019W4N |
| Chemical Name | 2-[3-(difluoromethoxy)-4-methoxyphenyl]acetonitrile |
| IUPAC Name | 2-[3-(difluoromethoxy)-4-methoxyphenyl]acetonitrile |
| InChI | InChI=1S/C10H9F2NO2/c1-14-8-3-2-7(4-5-13)6-9(8)15-10(11)12/h2-3,6,10H,4H2,1H3 |
| InChI Key | VQMDIAMWGYBMMD-UHFFFAOYSA-N |
| MDL Number | MFCD12912862 |
| Molecular Formula | C10H9F2NO2 |
| Molecular Weight | 213.1808 |
| SMILES | COC1=C(OC(F)F)C=C(CC#N)C=C1 |
| Synonyms | 2-[3-(difluoromethoxy)-4-methoxyphenyl]acetonitrile,
153587-50-9,
EN300-50509,
AC1Q46CZ,
SCHEMBL7864303,
CTK7C9722,
VQMDIAMWGYBMMD-UHFFFAOYSA-N,
ZINC36379645,
AKOS033189176,
MCULE-3988901932,
NE15610,
(3-Difluoromethoxy-4-methoxyphenyl)acetonitrile,
Z1245634064,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.184g/mol |
| Monoisotopic Mass | 213.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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