| CAS Number | 1381944-77-9 |
| Catalog Number | AG00187J(AGN-PC-0WAA5F) |
| Chemical Name | 4-Bromo-N-isopropylnaphthalene-1-carboxamide |
| IUPAC Name | 4-bromo-N-propan-2-ylnaphthalene-1-carboxamide |
| InChI | InChI=1S/C14H14BrNO/c1-9(2)16-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9H,1-2H3,(H,16,17) |
| InChI Key | UIKDFYLOBJKGHT-UHFFFAOYSA-N |
| MDL Number | MFCD22375027 |
| Molecular Formula | C14H14BrNO |
| Molecular Weight | 292.1711 |
| SMILES | CC(NC(=O)c1ccc(c2c1cccc2)Br)C |
| Synonyms | 4-Bromo-N-isopropylnaphthalene-1-carboxamide,
1381944-77-9,
ACMC-209cgu,
CTK8B0744,
DTXSID40743065,
ANW-20428,
MFCD22375027,
ZINC85477331,
AKOS025294459,
TC-109173,
V2849,
4-Bromo-N-(propan-2-yl)naphthalene-1-carboxamide,
1-Naphthalenecarboxamide, 4-bromo-N-(1-methylethyl)-,
C14H14BrNO,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.176g/mol |
| Monoisotopic Mass | 291.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number