| CAS Number | 1309963-10-7 |
| Catalog Number | AG000V82(AGN-PC-0BEPIE) |
| Chemical Name | Benzenamine, 2-bromo-4-(1-methylethyl)-6-nitro- |
| IUPAC Name | 2-bromo-6-nitro-4-propan-2-ylaniline |
| InChI | InChI=1S/C9H11BrN2O2/c1-5(2)6-3-7(10)9(11)8(4-6)12(13)14/h3-5H,11H2,1-2H3 |
| InChI Key | RWWIASQSAKBECE-UHFFFAOYSA-N |
| MDL Number | MFCD20233424 |
| Molecular Formula | C9H11BrN2O2 |
| Molecular Weight | 259.0998 |
| SMILES | CC(C)C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] |
| Synonyms | 2-Bromo-4-isopropyl-6-nitroaniline,
1309963-10-7,
2-Bromo-4-isopropyl-6-nitro-phenylamine,
DTXSID60717844,
1605AJ,
ZINC71792241,
FCH1416477,
FS-6267,
2-Bromo-6-nitro-4-(propan-2-yl)aniline,
AJ-118736,
AX8289896,
Benzenamine, 2-bromo-4-(1-methylethyl)-6-nitro-,
C9H11BrN2O2,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.103g/mol |
| Monoisotopic Mass | 258g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number