| CAS Number | 1036389-86-2 |
| Catalog Number | AG008W7U(AGN-PC-0CSI1H) |
| Chemical Name | 5-Amino-2-bromo-4-fluorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 5-amino-2-bromo-4-fluorobenzoate |
| InChI | InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-7(11)6(10)3-5(4)9/h2-3H,11H2,1H3 |
| InChI Key | QMTDDCURRBENGD-UHFFFAOYSA-N |
| MDL Number | MFCD17128522 |
| Molecular Formula | C8H7BrFNO2 |
| Molecular Weight | 248.0491 |
| SMILES | NC=1C(=CC(=C(C(=O)OC)C1)Br)F |
| Synonyms | methyl 5-amino-2-bromo-4-fluorobenzoate,
1036389-86-2,
SCHEMBL8164437,
AKOS012110768,
5-Amino-2-bromo-4-fluoro-benzoic acid methyl ester,
5-Amino-2-bromo-4-fluorobenzoic Acid Methyl Ester,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.051g/mol |
| Monoisotopic Mass | 246.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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