| CAS Number | 1365272-85-0 |
| Catalog Number | AG00120R(AGN-PC-0WAA5E) |
| Chemical Name | 4-Bromo-N-isopropyl-2-nitro-5-propoxyaniline |
| IUPAC Name | 4-bromo-2-nitro-N-propan-2-yl-5-propoxyaniline |
| InChI | InChI=1S/C12H17BrN2O3/c1-4-5-18-12-7-10(14-8(2)3)11(15(16)17)6-9(12)13/h6-8,14H,4-5H2,1-3H3 |
| InChI Key | PSQQUKLSHXGSGN-UHFFFAOYSA-N |
| MDL Number | MFCD16652556 |
| Molecular Formula | C12H17BrN2O3 |
| Molecular Weight | 317.1790 |
| SMILES | CCCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-N-isopropyl-2-nitro-5-propoxyaniline,
1365272-85-0,
ACMC-209c90,
CTK8B0579,
DTXSID90742927,
ANW-20146,
MFCD21609493,
ZINC85477135,
TC-108891,
V2641,
B-8922,
4-Bromo-2-nitro-N-(propan-2-yl)-5-propoxyaniline,
Benzenamine, 4-bromo-N-(1-methylethyl)-2-nitro-5-propoxy-,
C12H17BrN2O3,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.183g/mol |
| Monoisotopic Mass | 316.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number