| CAS Number | 50635-24-0 |
| Catalog Number | AG003BXC(AGN-PC-0NJQAY) |
| Chemical Name | (4-tert-Butylphenoxy)acetonitrile |
| IUPAC Name | 2-(4-tert-butylphenoxy)acetonitrile |
| InChI | InChI=1S/C12H15NO/c1-12(2,3)10-4-6-11(7-5-10)14-9-8-13/h4-7H,9H2,1-3H3 |
| InChI Key | HZVAATCQZHQGJT-UHFFFAOYSA-N |
| MDL Number | MFCD00052454 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | C(C)(C)(C)C1=CC=C(OCC#N)C=C1 |
| Synonyms | 50635-24-0,
2-(4-(tert-Butyl)phenoxy)acetonitrile,
(4-TERT-BUTYL-PHENOXY)ACETONITRILE,
(4-TERT-BUTYLPHENOXY)ACETONITRILE,
ACMC-20apmo,
(4-t-butylphenoxy)-acetonitrile,
SCHEMBL15604421,
CTK1G7799,
DTXSID70505395,
ZINC2510194,
2-(4-tert-butylphenoxy)acetonitrile,
MFCD00052454,
AKOS000177172,
MCULE-2542157229,
TC-172887,
(4-tert-Butylphenoxy)acetonitrile, AldrichCPR,
2-(4-TERT-BUTYL-PHENOXY)ACETONITRILE, 95%,
I14-90911,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number