| CAS Number | 1529613-64-6 |
| Catalog Number | AG00AS2I(AGN-PC-0WQXMM) |
| Chemical Name | Methyl 3-amino-4-bromo-2,6-difluorobenzoate |
| IUPAC Name | methyl 3-amino-4-bromo-2,6-difluorobenzoate |
| InChI | InChI=1S/C8H6BrF2NO2/c1-14-8(13)5-4(10)2-3(9)7(12)6(5)11/h2H,12H2,1H3 |
| InChI Key | NGLQFAWDCRSRSN-UHFFFAOYSA-N |
| MDL Number | MFCD23840403 |
| Molecular Formula | C8H6BrF2NO2 |
| Molecular Weight | 266.0395 |
| SMILES | O=C(OC)C1=C(F)C=C(Br)C(N)=C1F |
| Synonyms | Methyl 3-amino-4-bromo-2,6-difluorobenzoate,
1529613-64-6,
MFCD23840403,
ZINC87196708,
AKOS018687976,
CM12353,
AS-33101,
CS-0035935,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.042g/mol |
| Monoisotopic Mass | 264.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number