| CAS Number | 1261454-39-0 |
| Catalog Number | AG01DV5F |
| Chemical Name | 7-Chloro-1-naphthonitrile |
| IUPAC Name | 7-chloronaphthalene-1-carbonitrile |
| InChI | InChI=1S/C11H6ClN/c12-10-5-4-8-2-1-3-9(7-13)11(8)6-10/h1-6H |
| InChI Key | PSUSJPAEWLGIKT-UHFFFAOYSA-N |
| MDL Number | MFCD18410872 |
| Molecular Formula | C11H6ClN |
| Molecular Weight | 187.625 |
| SMILES | ClC1=CC2=C(C=CC=C2C#N)C=C1 |
| Synonyms | 1261454-39-0,
7-Chloro-1-naphthonitrile,
7-Chloro-1-cyanonaphthalene,
7-chloronaphthalene-1-carbonitrile,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.626g/mol |
| Monoisotopic Mass | 187.019g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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