| CAS Number | 1250894-19-9 |
| Catalog Number | AG019YF3 |
| Chemical Name | 5-chloro-2-(2-methoxyethoxy)benzonitrile |
| IUPAC Name | 5-chloro-2-(2-methoxyethoxy)benzonitrile |
| InChI | InChI=1S/C10H10ClNO2/c1-13-4-5-14-10-3-2-9(11)6-8(10)7-12/h2-3,6H,4-5H2,1H3 |
| InChI Key | HSFHZEQYEDVDKA-UHFFFAOYSA-N |
| MDL Number | MFCD16769702 |
| Molecular Formula | C10H10ClNO2 |
| Molecular Weight | 211.6449 |
| SMILES | COCCOC1=C(C#N)C=C(Cl)C=C1 |
| Synonyms | 5-chloro-2-(2-methoxyethoxy)benzonitrile,
1250894-19-9,
ZINC52859819,
AKOS011782006,
MCULE-7314897539,
NE16089,
BBV-34299740,
EN300-101277,
Z1357774191,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.645g/mol |
| Monoisotopic Mass | 211.04g/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
Lot Number