| CAS Number | 54554-81-3 |
| Catalog Number | AG01ABXS(AGN-PC-01N6ZW) |
| Chemical Name | 1-Bromo-2-propoxybenzene |
| IUPAC Name | 1-bromo-2-propoxybenzene |
| InChI | InChI=1S/C9H11BrO/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3 |
| InChI Key | KNYXKEPPOIKGDM-UHFFFAOYSA-N |
| MDL Number | MFCD09937799 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | c1ccc(c(c1)Br)OCCC |
| Synonyms | 1-bromo-2-propoxybenzene,
54554-81-3,
2-Bromophenylpropyl ether,
2-bromophenyl propyl ether,
1-Bromo-2-n-propyloxybenzene,
SCHEMBL1796140,
KNYXKEPPOIKGDM-UHFFFAOYSA-N,
ZINC13379796,
AKOS000180569,
DA-05010,
FT-0769460,
Z54722000,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number