| CAS Number | 113269-07-1 |
| Catalog Number | AG0094HM(AGN-PC-0JCP9F) |
| Chemical Name | 4-BroMo-5-nitrobenzene-1,2-diaMine |
| IUPAC Name | 4-bromo-5-nitrobenzene-1,2-diamine |
| InChI | InChI=1S/C6H6BrN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2 |
| InChI Key | XGXKPRVKQPWQOY-UHFFFAOYSA-N |
| MDL Number | MFCD21604159 |
| Molecular Formula | C6H6BrN3O2 |
| Molecular Weight | 232.0347 |
| SMILES | [O-][N+](=O)c1cc(N)c(cc1Br)N |
| Synonyms | 4-Bromo-5-nitrobenzene-1,2-diamine,
113269-07-1,
1,2-Benzenediamine, 4-bromo-5-nitro-,
ACMC-20mhqi,
CTK0D0161,
DTXSID90764841,
MFCD21604159,
AK-74255,
AJ-137631,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.037g/mol |
| Monoisotopic Mass | 230.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number