| CAS Number | 30482-87-2 |
| Catalog Number | AG0030AF(AGN-PC-0WAIOK) |
| Chemical Name | Benzonitrile, 2,6-dichloro-4-methoxy- |
| IUPAC Name | 2,6-dichloro-4-methoxybenzonitrile |
| InChI | InChI=1S/C8H5Cl2NO/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-3H,1H3 |
| InChI Key | MTKOPGRUFMDVSS-UHFFFAOYSA-N |
| MDL Number | MFCD24539384 |
| Molecular Formula | C8H5Cl2NO |
| Molecular Weight | 202.0374 |
| SMILES | N#CC1=C(Cl)C=C(OC)C=C1Cl |
| Synonyms | 2,6-Dichloro-4-methoxybenzonitrile,
30482-87-2,
MFCD24539384,
ZINC75602154,
AKOS022646975,
AS05831,
CM13034,
FCH2342930,
Benzonitrile, 2,6-dichloro-4-methoxy-,
AS-33154,
AJ-121728,
AX8290581,
FT-0705667,
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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 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number