| CAS Number | 474806-63-8 |
| Catalog Number | AG01DTSO(AGN-PC-0KC8WT) |
| Chemical Name | [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] acetate |
| IUPAC Name | [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] acetate |
| InChI | InChI=1S/C10H9BrFNO3/c1-6(14)16-5-10(15)13-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,13,15) |
| InChI Key | GCVMSIAMALLUBG-UHFFFAOYSA-N |
| MDL Number | MFCD05272561 |
| Molecular Formula | C10H9BrFNO3 |
| Molecular Weight | 290.0858 |
| SMILES | C(C)(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F |
| Synonyms | 474806-63-8,
2-(4-bromo-2-fluorophenylamino)-2-oxoethyl acetate,
(4-Bromo-2-fluorophenylcarbamoyl)methyl acetate,
[(4-bromo-2-fluorophenyl)carbamoyl]methyl acetate,
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] acetate,
AC1M228A,
SCHEMBL1119389,
GCVMSIAMALLUBG-UHFFFAOYSA-N,
ZINC2646303,
AKOS033696397,
MCULE-2453015384,
Z19628446,
ZINC02646303,
CID2109349,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.088g/mol |
| Monoisotopic Mass | 288.975g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number