| CAS Number | 1211298-86-0 |
| Catalog Number | AG019XAX |
| Chemical Name | 2-[4-(4-aminophenoxy)phenyl]acetonitrile hydrochloride |
| IUPAC Name | 2-[4-(4-aminophenoxy)phenyl]acetonitrile;hydrochloride |
| InChI | InChI=1S/C14H12N2O.ClH/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14;/h1-8H,9,16H2;1H |
| InChI Key | UMIWSCJQGUCDRK-UHFFFAOYSA-N |
| MDL Number | MFCD13196085 |
| Molecular Formula | C14H13ClN2O |
| Molecular Weight | 260.7188 |
| SMILES | Cl.NC1=CC=C(OC2=CC=C(CC#N)C=C2)C=C1 |
| Synonyms | 2-[4-(4-aminophenoxy)phenyl]acetonitrile hydrochloride,
EN300-54517,
1211298-86-0,
AC1Q3CZ0,
CTK7C9755,
MCULE-5830255758,
NE54477,
6927-86-2,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.721g/mol |
| Monoisotopic Mass | 260.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number