| CAS Number | 414868-82-9 |
| Catalog Number | AG00CK4L(AGN-PC-03TPJK) |
| Chemical Name | 4-Bromo-2-methyl-3-nitroaniline |
| IUPAC Name | 4-bromo-2-methyl-3-nitroaniline |
| InChI | InChI=1S/C7H7BrN2O2/c1-4-6(9)3-2-5(8)7(4)10(11)12/h2-3H,9H2,1H3 |
| InChI Key | NPLDFXDXQWVDGE-UHFFFAOYSA-N |
| MDL Number | MFCD11846013 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | [N+](=O)([O-])C1=C(Br)C=CC(N)=C1C |
| Synonyms | 4-Bromo-2-methyl-3-nitroaniline,
414868-82-9,
SCHEMBL6786414,
DTXSID60627691,
NPLDFXDXQWVDGE-UHFFFAOYSA-N,
ZINC36532850,
FCH1406156,
AJ-93106,
SC-48108,
AX8290935,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number