| CAS Number | 725718-12-7 |
| Catalog Number | AG01CA5M |
| Chemical Name | 3-Chloro-2-methoxybenzonitrile |
| IUPAC Name | 3-chloro-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H6ClNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3 |
| InChI Key | WWBDQIYXXXYFQJ-UHFFFAOYSA-N |
| MDL Number | MFCD18393570 |
| Molecular Formula | C8H6ClNO |
| Molecular Weight | 167.5923 |
| SMILES | COc1c(cccc1Cl)C#N |
| Synonyms | 3-chloro-2-methoxybenzonitrile,
725718-12-7,
MFCD18393570,
ZINC75085352,
AKOS022968054,
FCH1135864,
OR400666,
PS-11695,
N/A,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.592g/mol |
| Monoisotopic Mass | 167.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number