| CAS Number | 1365271-84-6 |
| Catalog Number | AG0011YP(AGN-PC-0WD0W6) |
| Chemical Name | 4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline |
| IUPAC Name | 4-bromo-N-cyclohexyl-2-nitro-5-propoxyaniline |
| InChI | InChI=1S/C15H21BrN2O3/c1-2-8-21-15-10-13(14(18(19)20)9-12(15)16)17-11-6-4-3-5-7-11/h9-11,17H,2-8H2,1H3 |
| InChI Key | LRCWFJHWOTYXMB-UHFFFAOYSA-N |
| MDL Number | MFCD21609505 |
| Molecular Formula | C15H21BrN2O3 |
| Molecular Weight | 357.2428 |
| SMILES | CCCOc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-N-cyclohexyl-2-nitro-5-propoxyaniline,
1365271-84-6,
ACMC-209c6v,
CTK8B0502,
DTXSID00742857,
ANW-20069,
MFCD21609505,
ZINC82046489,
CJ-22020,
AJ-124184,
AX8240442,
TC-108814,
V2569,
B-8891,
Benzenamine, 4-bromo-N-cyclohexyl-2-nitro-5-propoxy-,
C15H21BrN2O3,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.248g/mol |
| Monoisotopic Mass | 356.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number