| CAS Number | 3336-38-7 |
| Catalog Number | AG007FVC(AGN-PC-0N59S1) |
| Chemical Name | 3,5-Dichloro-4-methoxybenzonitrile |
| IUPAC Name | 3,5-dichloro-4-methoxybenzonitrile |
| InChI | InChI=1S/C8H5Cl2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3 |
| InChI Key | NPWCZAJNWKKQOV-UHFFFAOYSA-N |
| MDL Number | MFCD07774194 |
| Molecular Formula | C8H5Cl2NO |
| Molecular Weight | 202.0374 |
| SMILES | COc1c(Cl)cc(cc1Cl)C#N |
| Synonyms | 3,5-Dichloro-4-methoxybenzonitrile,
3336-38-7,
3,5-dichloro-4-methoxy-benzonitrile,
Benzonitrile, 3,5-dichloro-4-methoxy-,
3,5-dichloro-4-methyloxybenzonitrile,
CTK1B1779,
DTXSID60440721,
ZINC16447820,
AKOS000113909,
MCULE-9858006147,
CJ-15509,
BB 0244155,
K-7694,
CID10488300,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.034g/mol |
| Monoisotopic Mass | 200.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^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