| CAS Number | 67563-72-8 |
| Catalog Number | AG005MJJ(AGN-PC-00KYW9) |
| Chemical Name | Benzene, 1-(3-bromopropoxy)-2-methoxy-
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| IUPAC Name | 1-(3-bromopropoxy)-2-methoxybenzene |
| InChI | InChI=1S/C10H13BrO2/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-6H,4,7-8H2,1H3 |
| InChI Key | DFYOBINAKRYPOT-UHFFFAOYSA-N |
| MDL Number | MFCD00596668 |
| Molecular Formula | C10H13BrO2 |
| Molecular Weight | 245.1130 |
| SMILES | O(CCCBr)c1c(OC)cccc1 |
| Synonyms | 1-(3-BROMOPROPOXY)-2-METHOXYBENZENE,
67563-72-8,
SCHEMBL3066454,
CTK5C6340,
DTXSID70519235,
DFYOBINAKRYPOT-UHFFFAOYSA-N,
ZINC8700962,
ZX-CM015425,
BBL025875,
MFCD00596668,
STL367557,
AKOS000343486,
MCULE-2878617081,
1-(3-bromo-propoxy)-2-methoxy-benzene,
AJ-58521,
1-[(3-bromopropyl)oxy]-2-(methyloxy)benzene,
W-7370,
A1-04755,
1- -2-methoxybenzene,
773092-62-9,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.116g/mol |
| Monoisotopic Mass | 244.01g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 18.5A^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