| CAS Number | 1330750-39-4 |
| Catalog Number | AG00146D(AGN-PC-0WAA46) |
| Chemical Name | 4-Bromo-5-Ethoxy-N-Isopropyl-2-Nitroaniline |
| IUPAC Name | 4-bromo-5-ethoxy-2-nitro-N-propan-2-ylaniline |
| InChI | InChI=1S/C11H15BrN2O3/c1-4-17-11-6-9(13-7(2)3)10(14(15)16)5-8(11)12/h5-7,13H,4H2,1-3H3 |
| InChI Key | OOYVHFHUOZHVFE-UHFFFAOYSA-N |
| MDL Number | MFCD19981503 |
| Molecular Formula | C11H15BrN2O3 |
| Molecular Weight | 303.1524 |
| SMILES | CCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-5-ethoxy-N-isopropyl-2-nitroaniline,
1330750-39-4,
ACMC-209br3,
CTK8B0171,
DTXSID90716668,
ANW-19501,
MFCD19981503,
ZINC74937721,
AKOS015908450,
AJ-121422,
AX8229119,
TC-108246,
ST24023372,
Z9682,
B-7137,
4-Bromo-5-ethoxy-2-nitro-N-(propan-2-yl)aniline,
I14-24790,
Benzenamine, 4-bromo-5-ethoxy-N-(1-methylethyl)-2-nitro-,
C11H15BrN2O3,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.156g/mol |
| Monoisotopic Mass | 302.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number