| CAS Number | 22531-59-5 |
| Catalog Number | AG00C1WQ(AGN-PC-00246K) |
| Chemical Name | 5-Bromo-1-naphthamide |
| IUPAC Name | 5-bromonaphthalene-1-carboxamide |
| InChI | InChI=1S/C11H8BrNO/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H2,13,14) |
| InChI Key | LACXAOKQABXJRX-UHFFFAOYSA-N |
| MDL Number | MFCD12198491 |
| Molecular Formula | C11H8BrNO |
| Molecular Weight | 250.0913 |
| SMILES | C12C=CC=C(Br)C1=CC=CC=2C(N)=O |
| Synonyms | 5-BROMO-1-NAPHTHAMIDE,
22531-59-5,
5-Bromonaphthalene-1-carboxamide,
SCHEMBL5772703,
5-bromo-1-naphthamide(SALTDATA,
DTXSID10562922,
BBL019894,
MFCD12198491,
STL196576,
ZINC20136213,
AKOS000299237,
MCULE-3052002264,
AJ-76100,
BB 0244282,
5-Bromo-naphthalene-1-carboxylic acid amide,
Y-7174,
AP-970/43482491,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.095g/mol |
| Monoisotopic Mass | 248.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number