| CAS Number | 108485-08-1 |
| Catalog Number | AG007UR5(AGN-PC-0WAEK3) |
| Chemical Name | N-Ethyl 2-bromo-4-nitroaniline |
| IUPAC Name | 2-bromo-N-ethyl-4-nitroaniline |
| InChI | InChI=1S/C8H9BrN2O2/c1-2-10-8-4-3-6(11(12)13)5-7(8)9/h3-5,10H,2H2,1H3 |
| InChI Key | XGXMCUACVIEWKI-UHFFFAOYSA-N |
| MDL Number | MFCD12044149 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CCNC1=C(Br)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 2-Bromo-N-ethyl-4-nitroaniline,
108485-08-1,
N-ETHYL 2-BROMO-4-NITROANILINE,
ACMC-20990g,
N-ethyl-2-bromo-4-nitroaniline,
CTK4A6059,
DTXSID10656335,
ANW-15950,
MFCD12044149,
ZINC37131377,
AKOS009930382,
AJ-93695,
ST2404269,
TR-033993,
Z7222,
A-4897,
I14-25110,
C8H9BrN2O2,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number