| CAS Number | 1016889-72-7 |
| Catalog Number | AG00057A(AGN-PC-0WD06F) |
| Chemical Name | 2-Bromo-4-fluoro-1-propoxybenzene |
| IUPAC Name | 2-bromo-4-fluoro-1-propoxybenzene |
| InChI | InChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3 |
| InChI Key | MZASMHWXAIRSKJ-UHFFFAOYSA-N |
| MDL Number | MFCD09940143 |
| Molecular Formula | C9H10BrFO |
| Molecular Weight | 233.0775 |
| SMILES | c1(ccc(c(c1)Br)OCCC)F |
| Synonyms | 2-Bromo-4-fluoro-1-propoxybenzene,
1016889-72-7,
1-Bromo-5-fluoro-2-n-propyloxybenzene,
SCHEMBL18053754,
MFCD09940143,
ZINC19482158,
AKOS000183292,
Benzene, 2-bromo-4-fluoro-1-propoxy-,
AJ-73687,
ST24040116,
Y3526,
Q-7691,
C9H10BrFO,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.08g/mol |
| Monoisotopic Mass | 231.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number