| CAS Number | 22056-04-8 |
| Catalog Number | AG00I4BO(AGN-PC-0QYMC8) |
| Chemical Name | 2-[(4-Chlorophenyl)(hydroxy)methyl]prop-2-enenitrile |
| IUPAC Name | 2-[(4-chlorophenyl)-hydroxymethyl]prop-2-enenitrile |
| InChI | InChI=1S/C10H8ClNO/c1-7(6-12)10(13)8-2-4-9(11)5-3-8/h2-5,10,13H,1H2 |
| InChI Key | JYCZGEVNRFSAQJ-UHFFFAOYSA-N |
| MDL Number | MFCD11130359 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | OC(C(=C)C#N)c1ccc(cc1)Cl |
| Synonyms | 2-((4-Chlorophenyl)(Hydroxy)Methyl)Acrylonitrile,
22056-04-8,
2-[(4-CHLOROPHENYL)(HYDROXY)METHYL]PROP-2-ENENITRILE,
CHEMBL2047932,
SCHEMBL19180708,
AKOS000209152,
2-(4-Chloro-alpha-hydroxybenzyl)acrylonitrile,
CID10397726,
2-[(4-chlorophenyl)-hydroxy-methyl]prop-2-enenitrile,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.63g/mol |
| Monoisotopic Mass | 193.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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