| CAS Number | 1375069-28-5 |
| Catalog Number | AG0013FH(AGN-PC-0J2CB9) |
| Chemical Name | 4-Bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide |
| IUPAC Name | 4-bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide |
| InChI | InChI=1S/C13H12BrNO2/c14-12-6-5-11(13(17)15-7-8-16)9-3-1-2-4-10(9)12/h1-6,16H,7-8H2,(H,15,17) |
| InChI Key | TWTKBTMSZXLEMA-UHFFFAOYSA-N |
| MDL Number | MFCD22205760 |
| Molecular Formula | C13H12BrNO2 |
| Molecular Weight | 294.1439 |
| SMILES | OCCNC(=O)c1ccc(c2c1cccc2)Br |
| Synonyms | 4-Bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide,
1375069-28-5,
ACMC-209cdw,
CTK8B0676,
DTXSID60743007,
ANW-20322,
MFCD22205760,
ZINC85477249,
CJ-22458,
4-Bromo-N-(2-hydroxyethyl)-1-naphthamide,
TC-109067,
V2765,
1-Naphthalenecarboxamide, 4-bromo-N-(2-hydroxyethyl)-,
C13H12BrNO2,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.148g/mol |
| Monoisotopic Mass | 293.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number