| CAS Number | 1804405-87-5 |
| Catalog Number | AG01FR0S(AGN-PC-3H5PCK) |
| Chemical Name | methyl 3-bromo-2-methyl-4-nitrobenzoate |
| IUPAC Name | methyl 3-bromo-2-methyl-4-nitrobenzoate |
| InChI | InChI=1S/C9H8BrNO4/c1-5-6(9(12)15-2)3-4-7(8(5)10)11(13)14/h3-4H,1-2H3 |
| InChI Key | LOYNLWOSZNXFCN-UHFFFAOYSA-N |
| MDL Number | MFCD28745255 |
| Molecular Formula | C9H8BrNO4 |
| Molecular Weight | 274.0681 |
| SMILES | BrC=1C(=C(C(=O)OC)C=CC1[N+](=O)[O-])C |
| Synonyms | Methyl 3-bromo-2-methyl-4-nitrobenzoate,
1804405-87-5,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.96367g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.07g/mol |
| Monoisotopic Mass | 272.96367g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number