| CAS Number | 949168-34-7 |
| Catalog Number | AG00IINO |
| Chemical Name | Methyl 2-(2-bromo-4-fluorophenyl)acetate |
| IUPAC Name | methyl 2-(2-bromo-4-fluorophenyl)acetate |
| InChI | InChI=1S/C9H8BrFO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3 |
| InChI Key | VLQWWEBJMRNYDR-UHFFFAOYSA-N |
| MDL Number | MFCD20527142 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | COC(=O)Cc1ccc(cc1Br)F |
| Synonyms | Methyl 2-(2-bromo-4-fluorophenyl)acetate,
949168-34-7,
methyl 2-bromo-4-fluorophenylacetate,
SCHEMBL909006,
DTXSID00648961,
VLQWWEBJMRNYDR-UHFFFAOYSA-N,
ZINC95147682,
ACN-056587,
Methyl (2-bromo-4-fluorophenyl)acetate,
2-Bromo-4-fluorophenyl-acetic acid methyl ester,
2-(2-Bromo-4-fluorophenyl)acetic acid methyl ester,
J-508299,
Benzeneacetic acid, 2-bromo-4-fluoro-, methyl ester,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number