| CAS Number | 914635-70-4 |
| Catalog Number | AG00H0BF(AGN-PC-0WBRBJ) |
| Chemical Name | 2-Bromo-5-isopropoxybenzotrifluoride |
| IUPAC Name | 1-bromo-4-propan-2-yloxy-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C10H10BrF3O/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6H,1-2H3 |
| InChI Key | KWASTTIZCDIKML-UHFFFAOYSA-N |
| MDL Number | MFCD08059529 |
| Molecular Formula | C10H10BrF3O |
| Molecular Weight | 283.0850 |
| SMILES | c1c(cc(c(c1)Br)C(F)(F)F)OC(C)C |
| Synonyms | 914635-70-4,
1-Bromo-4-isopropoxy-2-(trifluoromethyl)benzene,
2-Bromo-5-isopropoxybenzotrifluoride,
1-BROMO-4-ISOPROPOXY-2-TRIFLUOROMETHYL-BENZENE,
SCHEMBL17420507,
CTK5G9668,
DTXSID30650451,
KWASTTIZCDIKML-UHFFFAOYSA-N,
ANW-56315,
MFCD08059529,
ZINC16158926,
AKOS016001024,
AJ-68599,
TC-145060,
V9075,
1-Bromo-4-[(propan-2-yl)oxy]-2-(trifluoromethyl)benzene,
C10H10BrF3O,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.088g/mol |
| Monoisotopic Mass | 281.987g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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