| CAS Number | 186000-52-2 |
| Catalog Number | AG00AQIL(AGN-PC-00ON71) |
| Chemical Name | 4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile |
| IUPAC Name | 4-[(3-chlorophenyl)-hydroxymethyl]benzonitrile |
| InChI | InChI=1S/C14H10ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,14,17H |
| InChI Key | XMKUXLMPAHGREV-UHFFFAOYSA-N |
| MDL Number | MFCD22205837 |
| Molecular Formula | C14H10ClNO |
| Molecular Weight | 243.6883 |
| SMILES | N#Cc1ccc(cc1)C(c1cccc(c1)Cl)O |
| Synonyms | 4-[(3-Chlorophenyl)(hydroxy)methyl]benzonitrile,
186000-52-2,
ACMC-209eng,
CTK8B1067,
DTXSID10570562,
ANW-23258,
MFCD22205837,
AKOS020146121,
TC-112003,
4-(alpha-Hydroxy-3-chlorobenzyl)benzonitrile,
B-9387,
4-[(3-chlorophenyl)-hydroxymethyl]benzonitrile,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.69g/mol |
| Monoisotopic Mass | 243.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number