| CAS Number | 1365272-39-4 |
| Catalog Number | AG00120C(AGN-PC-0WD0W4) |
| Chemical Name | 4-Bromo-N-cyclohexyl-5-ethoxy-2-nitroaniline |
| IUPAC Name | 4-bromo-N-cyclohexyl-5-ethoxy-2-nitroaniline |
| InChI | InChI=1S/C14H19BrN2O3/c1-2-20-14-9-12(13(17(18)19)8-11(14)15)16-10-6-4-3-5-7-10/h8-10,16H,2-7H2,1H3 |
| InChI Key | IOPHYMPBKOVGFY-UHFFFAOYSA-N |
| MDL Number | MFCD21609504 |
| Molecular Formula | C14H19BrN2O3 |
| Molecular Weight | 343.2163 |
| SMILES | CCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-N-cyclohexyl-5-ethoxy-2-nitroaniline,
1365272-39-4,
ACMC-209c81,
CTK8B0544,
DTXSID20742894,
ANW-20111,
MFCD21609504,
ZINC82046487,
CJ-22018,
AJ-124182,
AX8240439,
TC-108856,
V2605,
Benzenamine, 4-bromo-N-cyclohexyl-5-ethoxy-2-nitro-,
C14H19BrN2O3,
B-8890,
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| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.221g/mol |
| Monoisotopic Mass | 342.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number