| CAS Number | 1225380-05-1 |
| Catalog Number | AG0017FB(AGN-PC-0CGCKU) |
| Chemical Name | 1-Bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene |
| IUPAC Name | 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene |
| InChI | InChI=1S/C10H10BrF3/c1-9(2,10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3 |
| InChI Key | LCCQUAUGYNBEHE-UHFFFAOYSA-N |
| MDL Number | MFCD22571328 |
| Molecular Formula | C10H10BrF3 |
| Molecular Weight | 267.0856 |
| SMILES | CC(C1=CC=C(Br)C=C1)(C)C(F)(F)F |
| Synonyms | 1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene,
1225380-05-1,
SCHEMBL517476,
MFCD22571328,
AKOS024463300,
ZINC114003210,
FCH2293881,
AK162098,
AS-43733,
AX8294542,
CS-0060973,
Benzene, 1-bromo-4-(2,2,2-trifluoro-1,1-dimethylethyl)-,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.089g/mol |
| Monoisotopic Mass | 265.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number