| CAS Number | 401469-73-6 |
| Catalog Number | AG003HR7(AGN-PC-0LP4ZG) |
| Chemical Name | 2-(4-Bromonaphthalen-2-yl)acetonitrile |
| IUPAC Name | 2-(4-bromonaphthalen-2-yl)acetonitrile |
| InChI | InChI=1S/C12H8BrN/c13-12-8-9(5-6-14)7-10-3-1-2-4-11(10)12/h1-4,7-8H,5H2 |
| InChI Key | SUMAJOULTIGOOM-UHFFFAOYSA-N |
| MDL Number | MFCD18410695 |
| Molecular Formula | C12H8BrN |
| Molecular Weight | 246.1026 |
| SMILES | N#CCC1=CC(Br)=C2C=CC=CC2=C1 |
| Synonyms | 2-(4-bromonaphthalen-2-yl)acetonitrile,
401469-73-6,
2-Naphthaleneacetonitrile, 4-bromo-,
AC1NRVZI,
DTXSID90413160,
4-Bromonaphthalene-2-acetonitrile,
MFCD18410695,
ZINC33800599,
AKOS016013687,
FCH1373461,
KS-0000007J,
AJ-86307,
AK127745,
AX8249536,
CID5249152,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.107g/mol |
| Monoisotopic Mass | 244.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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