| CAS Number | 124371-59-1 |
| Catalog Number | AG01FOJG(AGN-PC-06MYE5) |
| Chemical Name | Methyl 5-bromo-2-chloro-3-nitrobenzoate |
| IUPAC Name | methyl 5-bromo-2-chloro-3-nitrobenzoate |
| InChI | InChI=1S/C8H5BrClNO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3 |
| InChI Key | XVVAOPFGJSBHMS-UHFFFAOYSA-N |
| MDL Number | MFCD12172987 |
| Molecular Formula | C8H5BrClNO4 |
| Molecular Weight | 294.4866 |
| SMILES | COC(=O)c1cc(Br)cc(c1Cl)[N+](=O)[O-] |
| Synonyms | methyl 5-bromo-2-chloro-3-nitrobenzoate,
124371-59-1,
SCHEMBL9084161,
XVVAOPFGJSBHMS-UHFFFAOYSA-N,
AKOS009488143,
5-bromo-2-chloro-3-nitrobenzoic acid methyl ester,
Benzoic acid, 5-bromo-2-chloro-3-nitro-, methyl ester,
methyl5-bromo-2-chloro-3-nitrobenzoate,
methyl 5-bromo-2-chloro-3-nitro-benzoate,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.909g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.485g/mol |
| Monoisotopic Mass | 292.909g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number