| CAS Number | 112750-58-0 |
| Catalog Number | AG009429(AGN-PC-0J2C00) |
| Chemical Name | 4-Bromonaphthalene-1-carboxamide |
| IUPAC Name | 4-bromonaphthalene-1-carboxamide |
| InChI | InChI=1S/C11H8BrNO/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H,(H2,13,14) |
| InChI Key | NWAXIBDCVFOCHU-UHFFFAOYSA-N |
| MDL Number | MFCD21609548 |
| Molecular Formula | C11H8BrNO |
| Molecular Weight | 250.0913 |
| SMILES | NC(=O)c1ccc(c2c1cccc2)Br |
| Synonyms | 4-Bromonaphthalene-1-carboxamide,
112750-58-0,
ACMC-2099ga,
CTK8A9262,
DTXSID60742671,
ANW-16520,
MFCD21609548,
ZINC82726324,
CJ-22089,
TC-105265,
Z7392,
B-8870,
C11H8BrNO,
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| 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
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Certificate of Analysis
Lot Number