| CAS Number | 1260653-34-6 |
| Catalog Number | AG01DV51 |
| Chemical Name | 1-(2,3-Dichlorophenyl)cyclobutanecarbonitrile |
| IUPAC Name | 1-(2,3-dichlorophenyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C11H9Cl2N/c12-9-4-1-3-8(10(9)13)11(7-14)5-2-6-11/h1,3-4H,2,5-6H2 |
| InChI Key | MUPGUOJKERBECC-UHFFFAOYSA-N |
| MDL Number | MFCD11036690 |
| Molecular Formula | C11H9Cl2N |
| Molecular Weight | 226.1019 |
| SMILES | ClC1=C(C=CC=C1Cl)C1(CCC1)C#N |
| Synonyms | 1-(2,3-Dichlorophenyl)cyclobutanecarbonitrile,
1260653-34-6,
SCHEMBL18742698,
SY225830,
MFCD11036690 (95%),
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.1g/mol |
| Monoisotopic Mass | 225.011g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Lot Number