| CAS Number | 77053-53-3 |
| Catalog Number | AG01DWNV(AGN-PC-0UAZ4T) |
| Chemical Name | methyl 2-bromo-2-[4-(trifluoromethyl)phenyl]acetate |
| IUPAC Name | methyl 2-bromo-2-[4-(trifluoromethyl)phenyl]acetate |
| InChI | InChI=1S/C10H8BrF3O2/c1-16-9(15)8(11)6-2-4-7(5-3-6)10(12,13)14/h2-5,8H,1H3 |
| InChI Key | UZHYSRFTDJBAHL-UHFFFAOYSA-N |
| MDL Number | MFCD11847981 |
| Molecular Formula | C10H8BrF3O2 |
| Molecular Weight | 297.0685 |
| SMILES | COC(C(C1=CC=C(C(F)(F)F)C=C1)Br)=O |
| Synonyms | 77053-53-3,
Bromo-(4-trifluoromethyl-phenyl)-acetic acid methyl ester,
SCHEMBL840763,
UZHYSRFTDJBAHL-UHFFFAOYSA-N,
MFCD11847981,
SC-29612,
Bromo-(4-trifluoromethyl-phenyl)-acetic acid methy,
methyl 2-bromo-2-(4-(trifluoromethyl)phenyl)acetate,
[4-(Trifluoromethyl)phenyl]bromoacetic acid methyl ester,
Bromo-(4-trifluoromethylphenyl)acetic acid methyl ester,
2-bromo-2-(4-trifluoromethylphenyl)acetic acid methyl ester,
alpha-bromo-(4-(trifluoromethyl)phenyl)acetic acid methyl ester,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.071g/mol |
| Monoisotopic Mass | 295.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number