| CAS Number | 1365272-51-0 |
| Catalog Number | AG001204(AGN-PC-0WD0W5) |
| Chemical Name | 4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline |
| IUPAC Name | 4-bromo-N-cyclohexyl-5-methoxy-2-nitroaniline |
| InChI | InChI=1S/C13H17BrN2O3/c1-19-13-8-11(12(16(17)18)7-10(13)14)15-9-5-3-2-4-6-9/h7-9,15H,2-6H2,1H3 |
| InChI Key | XHOKWZYROYEDKE-UHFFFAOYSA-N |
| MDL Number | MFCD21609503 |
| Molecular Formula | C13H17BrN2O3 |
| Molecular Weight | 329.1897 |
| SMILES | COc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-N-cyclohexyl-5-methoxy-2-nitroaniline,
1365272-51-0,
ACMC-209c89,
CTK8B0552,
DTXSID30742901,
ANW-20119,
MFCD21609503,
ZINC82046488,
AKOS016001259,
CJ-22019,
AJ-124183,
AX8240440,
TC-108864,
V2612,
B-8889,
Benzenamine, 4-bromo-N-cyclohexyl-5-methoxy-2-nitro-,
C13H17BrN2O3,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.194g/mol |
| Monoisotopic Mass | 328.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number