| CAS Number | 856364-94-8 |
| Catalog Number | AG00IDQ7 |
| Chemical Name | 4-bromo-1-(2-ethoxyethoxy)-2-nitrobenzene |
| IUPAC Name | 4-bromo-1-(2-ethoxyethoxy)-2-nitrobenzene |
| InChI | InChI=1S/C10H12BrNO4/c1-2-15-5-6-16-10-4-3-8(11)7-9(10)12(13)14/h3-4,7H,2,5-6H2,1H3 |
| InChI Key | BEQXCTPGQKZTDR-UHFFFAOYSA-N |
| MDL Number | MFCD14652078 |
| Molecular Formula | C10H12BrNO4 |
| Molecular Weight | 290.1106 |
| SMILES | CCOCCOC1=C([N+]([O-])=O)C=C(Br)C=C1 |
| Synonyms | 4-bromo-1-(2-ethoxyethoxy)-2-nitrobenzene,
856364-94-8,
AMTH143,
MFCD14652078,
ZINC42389189,
AKOS010631460,
NE45490,
C10H12BrNO4,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.113g/mol |
| Monoisotopic Mass | 288.995g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number