| CAS Number | 1311197-92-8 |
| Catalog Number | AG000VJR(AGN-PC-0WCCQN) |
| Chemical Name | 4-Bromo-N-methyl-2-nitro-5-propoxyaniline |
| IUPAC Name | 4-bromo-N-methyl-2-nitro-5-propoxyaniline |
| InChI | InChI=1S/C10H13BrN2O3/c1-3-4-16-10-6-8(12-2)9(13(14)15)5-7(10)11/h5-6,12H,3-4H2,1-2H3 |
| InChI Key | NYYVMSMXUAAYKO-UHFFFAOYSA-N |
| MDL Number | MFCD19237156 |
| Molecular Formula | C10H13BrN2O3 |
| Molecular Weight | 289.1258 |
| SMILES | CCCOc1cc(NC)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-N-methyl-2-nitro-5-propoxyaniline,
1311197-92-8,
ACMC-209bkw,
CTK8B0081,
DTXSID50716669,
ANW-19278,
MFCD19237156,
ZINC74934292,
AKOS015908451,
CJ-21725,
AJ-121357,
AX8229532,
TC-108023,
ST24023434,
Z9551,
A-2897,
Benzenamine, 4-bromo-N-methyl-2-nitro-5-propoxy-,
I14-24791,
C10H13BrN2O3,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.129g/mol |
| Monoisotopic Mass | 288.011g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number