| CAS Number | 647020-71-1 |
| Catalog Number | AG00ELP8(AGN-PC-0NI1DS) |
| Chemical Name | Methyl 2-bromo-3-fluorobenzoate |
| IUPAC Name | methyl 2-bromo-3-fluorobenzoate |
| InChI | InChI=1S/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,1H3 |
| InChI Key | UDCCTNIBELHUQN-UHFFFAOYSA-N |
| MDL Number | MFCD10000921 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | COC(=O)c1cccc(c1Br)F |
| Synonyms | 647020-71-1,
Methyl 2-bromo-3-fluorobenzoate,
2-Bromo-3-fluorobenzoic acid methyl ester,
Benzoic acid, 2-bromo-3-fluoro-, methyl ester,
SCHEMBL1180154,
CTK2A3902,
UDCCTNIBELHUQN-UHFFFAOYSA-,
DTXSID70479860,
UDCCTNIBELHUQN-UHFFFAOYSA-N,
MFCD10000921,
ZINC47202229,
AKOS017556454,
PS-11665,
SC-44080,
FT-0720181,
2-Bromo-3-fluorobenzoic acid methyl ester, AldrichCPR,
InChI=1/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,1H3,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number