| CAS Number | 1365272-99-6 |
| Catalog Number | AG00121I(AGN-PC-0WCCRD) |
| Chemical Name | 4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline |
| IUPAC Name | 4-bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline |
| InChI | InChI=1S/C12H13BrF2N2O2/c13-8-6-9(17(18)19)12(11(15)10(8)14)16-7-4-2-1-3-5-7/h6-7,16H,1-5H2 |
| InChI Key | IOWVSUZCYPHGOP-UHFFFAOYSA-N |
| MDL Number | MFCD21609498 |
| Molecular Formula | C12H13BrF2N2O2 |
| Molecular Weight | 335.1446 |
| SMILES | [O-][N+](=O)c1cc(Br)c(c(c1NC1CCCCC1)F)F |
| Synonyms | 4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline,
1365272-99-6,
C12H13BrF2N2O2,
ACMC-209c95,
CTK8B0584,
DTXSID80742931,
ANW-20151,
MFCD21609498,
ZINC82046486,
AKOS016001255,
CJ-22017,
AJ-124181,
AX8240438,
TC-108896,
V2646,
B-8888,
Benzenamine, 4-bromo-N-cyclohexyl-2,3-difluoro-6-nitro-,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.149g/mol |
| Monoisotopic Mass | 334.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number