| CAS Number | 200336-46-5 |
| Catalog Number | AG01B2FS(AGN-PC-02GOOL) |
| Chemical Name | 1-Bromo-2-methoxy-4-propoxybenzene |
| IUPAC Name | 1-bromo-2-methoxy-4-propoxybenzene |
| InChI | InChI=1S/C10H13BrO2/c1-3-6-13-8-4-5-9(11)10(7-8)12-2/h4-5,7H,3,6H2,1-2H3 |
| InChI Key | DJVGJPKDBDIQQL-UHFFFAOYSA-N |
| MDL Number | MFCD27946989 |
| Molecular Formula | C10H13BrO2 |
| Molecular Weight | 245.1130 |
| SMILES | CCCOC1=CC(OC)=C(Br)C=C1 |
| Synonyms | 1-Bromo-2-methoxy-4-propoxybenzene,
200336-46-5,
SCHEMBL164530,
DJVGJPKDBDIQQL-UHFFFAOYSA-N,
1-bromo-2-methoxy-4-propoxy-benzene,
ZINC113236107,
Benzene, 1-bromo-2-methoxy-4-propoxy-,
FT-0702929,
|
| Complexity | 141 |
| 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 | 4 |
| 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
Certificate of Analysis
Lot Number