| CAS Number | 1069115-12-3 |
| Catalog Number | AG00HAW4(AGN-PC-0WR6ZS) |
| Chemical Name | (2-Bromo-5-fluorophenyl)acetic acid methyl ester |
| IUPAC Name | methyl 2-(2-bromo-5-fluorophenyl)acetate |
| InChI | InChI=1S/C9H8BrFO2/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4H,5H2,1H3 |
| InChI Key | VLNQKVAXLYLSKB-UHFFFAOYSA-N |
| MDL Number | MFCD20527143 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.0610 |
| SMILES | C1(=CC(F)=CC=C1Br)CC(OC)=O |
| Synonyms | 1069115-12-3,
methyl 2-(2-bromo-5-fluorophenyl)acetate,
(2-bromo-5-fluorophenyl)acetic acid methyl ester,
SCHEMBL19925456,
ZINC95739033,
AKOS030635761,
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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 |
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Certificate of Analysis
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