| CAS Number | 28049-60-7 |
| Catalog Number | AG00I59V(AGN-PC-03HG6S) |
| Chemical Name | Cyclobutanecarbonitrile, 1-(3-chlorophenyl)- |
| IUPAC Name | 1-(3-chlorophenyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C11H10ClN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6H2 |
| InChI Key | HZMRYIISYHOTSF-UHFFFAOYSA-N |
| MDL Number | MFCD10689896 |
| Molecular Formula | C11H10ClN |
| Molecular Weight | 191.6568 |
| SMILES | ClC1=CC(C2(C#N)CCC2)=CC=C1 |
| Synonyms | 28049-60-7,
1-(3-CHLOROPHENYL)CYCLOBUTANE-1-CARBONITRILE,
1-(3-Chlorophenyl)cyclobutanecarbonitrile,
1-(3-chlorophenyl)cyclobutane carbonitrile,
SCHEMBL3444817,
DTXSID40619771,
HZMRYIISYHOTSF-UHFFFAOYSA-N,
MFCD10689896,
ZINC34938915,
AS-38964,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.658g/mol |
| Monoisotopic Mass | 191.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number