| CAS Number | 1096317-25-7 |
| Catalog Number | AG01EJRO |
| Chemical Name | 1-(4-tert-butylphenyl)cyclopropane-1-carbonitrile |
| IUPAC Name | 1-(4-tert-butylphenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C14H17N/c1-13(2,3)11-4-6-12(7-5-11)14(10-15)8-9-14/h4-7H,8-9H2,1-3H3 |
| InChI Key | UFSMLMMZMPISPQ-UHFFFAOYSA-N |
| MDL Number | MFCD12410112 |
| Molecular Formula | C14H17N |
| Molecular Weight | 199.2915 |
| SMILES | CC(C1=CC=C(C2(C#N)CC2)C=C1)(C)C |
| Synonyms | 1-[4-(tert-Butyl)phenyl]cyclopropanecarbonitrile,
1096317-25-7,
SCHEMBL12937243,
AKOS005766194,
SY225611,
MFCD12410112 (95%),
1-(4-tert-butylphenyl)cyclopropane-1-carbonitrile,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.297g/mol |
| Monoisotopic Mass | 199.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number