| CAS Number | 1394671-01-2 |
| Catalog Number | AG01A0WB |
| Chemical Name | 2-(2-chlorophenyl)-2-methoxyacetonitrile |
| IUPAC Name | 2-(2-chlorophenyl)-2-methoxyacetonitrile |
| InChI | InChI=1S/C9H8ClNO/c1-12-9(6-11)7-4-2-3-5-8(7)10/h2-5,9H,1H3 |
| InChI Key | XCZZVTNTIRSPFT-UHFFFAOYSA-N |
| MDL Number | MFCD21684358 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | COC(C1=C(Cl)C=CC=C1)C#N |
| Synonyms | 2-(2-chlorophenyl)-2-methoxyacetonitrile,
1394671-01-2,
AKOS015415721,
MCULE-8446355479,
NE16769,
F2148-0255,
Z1436472670,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number