| CAS Number | 1096856-95-9 |
| Catalog Number | AG01EJRX |
| Chemical Name | 1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile |
| IUPAC Name | 1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C15H19N/c1-14(2,3)12-5-7-13(8-6-12)15(11-16)9-4-10-15/h5-8H,4,9-10H2,1-3H3 |
| InChI Key | VUUXXVHKXWERRD-UHFFFAOYSA-N |
| MDL Number | MFCD12410111 |
| Molecular Formula | C15H19N |
| Molecular Weight | 213.3181 |
| SMILES | CC(C1=CC=C(C2(C#N)CCC2)C=C1)(C)C |
| Synonyms | 1-[4-(tert-Butyl)phenyl]cyclobutanecarbonitrile,
1096856-95-9,
SY225607,
MFCD12410111 (95%),
1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.324g/mol |
| Monoisotopic Mass | 213.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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