| CAS Number | 97476-14-7 |
| Catalog Number | AG006CEK(AGN-PC-00B95K) |
| Chemical Name | 2-Bromo-6-propoxynaphthalene |
| IUPAC Name | 2-bromo-6-propoxynaphthalene |
| InChI | InChI=1S/C13H13BrO/c1-2-7-15-13-6-4-10-8-12(14)5-3-11(10)9-13/h3-6,8-9H,2,7H2,1H3 |
| InChI Key | XUMPVNAHICLIGO-UHFFFAOYSA-N |
| MDL Number | MFCD18262543 |
| Molecular Formula | C13H13BrO |
| Molecular Weight | 265.1457 |
| SMILES | c12ccc(cc1ccc(c2)OCCC)Br |
| Synonyms | 2-Bromo-6-propoxynaphthalene,
97476-14-7,
2-Bromo-6-n-propyloxynaphthalene,
C16H13BrO4,
SCHEMBL4057003,
CTK5H9351,
DTXSID40468322,
XUMPVNAHICLIGO-UHFFFAOYSA-N,
2-(n-propyloxy)-6-bromonaphthalene,
ZINC70130675,
AKOS008948289,
NAPHTHALENE, 2-BROMO-6-PROPOXY-,
AB0043307,
AJ-117315,
ST24040197,
Z1212,
Q-7694,
2-bromo-6-propoxy-naphthalene,
CID11543512,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.15g/mol |
| Monoisotopic Mass | 264.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number