| CAS Number | 1235566-57-0 |
| Catalog Number | AG000KSI(AGN-PC-0HSCFF) |
| Chemical Name | 1-Bromo-3-isopropoxy-5-methoxybenzene |
| IUPAC Name | 1-bromo-3-methoxy-5-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H13BrO2/c1-7(2)13-10-5-8(11)4-9(6-10)12-3/h4-7H,1-3H3 |
| InChI Key | GKGXESSGXPZELQ-UHFFFAOYSA-N |
| MDL Number | MFCD22205811 |
| Molecular Formula | C10H13BrO2 |
| Molecular Weight | 245.1130 |
| SMILES | c1(cc(cc(c1)OC(C)C)Br)OC |
| Synonyms | 1-Bromo-3-isopropoxy-5-methoxybenzene,
1235566-57-0,
ACMC-209ap6,
SCHEMBL12178544,
CTK8A9541,
DTXSID30738142,
ANW-18136,
MFCD22205811,
ZINC85472191,
AKOS026672537,
TC-106881,
FT-0711480,
Z8719,
K-1776,
1-Bromo-3-methoxy-5-[(propan-2-yl)oxy]benzene,
Benzene, 1-bromo-3-methoxy-5-(1-methylethoxy)-,
C10H13BrO2,
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| Complexity | 150 |
| 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 | 3 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number