| CAS Number | 129278-20-2 |
| Catalog Number | AG009GK2(AGN-PC-002AQ9) |
| Chemical Name | 5-Bromo-1-naphthonitrile |
| IUPAC Name | 5-bromonaphthalene-1-carbonitrile |
| InChI | InChI=1S/C11H6BrN/c12-11-6-2-4-9-8(7-13)3-1-5-10(9)11/h1-6H |
| InChI Key | WSZJIUYVNILRNV-UHFFFAOYSA-N |
| MDL Number | MFCD17012496 |
| Molecular Formula | C11H6BrN |
| Molecular Weight | 232.0760 |
| SMILES | BrC1=C2C(C(=CC=C2)C#N)=CC=C1 |
| Synonyms | 5-Bromonaphthalene-1-carbonitrile,
129278-20-2,
5-bromo-1-naphthonitrile,
1-bromo-5-cyanonaphthalene,
1-Cyan-5-brom-naphthalin,
5-Bromo-1-cyanonaphthalene,
SCHEMBL1343833,
DTXSID90562723,
ZINC71256845,
AKOS026230358,
FCH1351615,
MCULE-8194624620,
NE17505,
BBV-40227722,
DB-083958,
FT-0741362,
EN300-117502,
Z1665033327,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.08g/mol |
| Monoisotopic Mass | 230.968g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number