| CAS Number | 944278-95-9 |
| Catalog Number | AG00II5K(AGN-PC-0WD070) |
| Chemical Name | 4-Bromo-1-fluoro-2-(1-methylethoxy)-benzene |
| IUPAC Name | 4-bromo-1-fluoro-2-propan-2-yloxybenzene |
| InChI | InChI=1S/C9H10BrFO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3 |
| InChI Key | VVWMTCPHQYYNBO-UHFFFAOYSA-N |
| MDL Number | MFCD18447602 |
| Molecular Formula | C9H10BrFO |
| Molecular Weight | 233.0775 |
| SMILES | c1(c(ccc(c1)Br)F)OC(C)C |
| Synonyms | 944278-95-9,
4-Bromo-1-fluoro-2-isopropoxybenzene,
4-Bromo-1-fluoro-2-(1-methylethoxy)-benzene,
5-Bromo-2-fluoro-isopropoxybenzene,
SCHEMBL1821524,
VVWMTCPHQYYNBO-UHFFFAOYSA-N,
MFCD18447602,
ZINC90413562,
AKOS022181499,
FS-5699,
4-bromo-1-fluoro-2-propan-2-yloxybenzene,
5-bromo-2-fluoro-1-(isopropyloxy)benzene,
AJ-128704,
ST24043314,
Z1147,
Q-7220,
C9H10BrFO,
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| Complexity | 141 |
| 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 | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number