| CAS Number | 815632-47-4 |
| Catalog Number | AG00G8R5(AGN-PC-000RG2) |
| Chemical Name | 5-BROMO-1,3-DIMETHOXY-2-NITROBENZENE |
| IUPAC Name | 5-bromo-1,3-dimethoxy-2-nitrobenzene |
| InChI | InChI=1S/C8H8BrNO4/c1-13-6-3-5(9)4-7(14-2)8(6)10(11)12/h3-4H,1-2H3 |
| InChI Key | JYBBJCVTCJWZRU-UHFFFAOYSA-N |
| MDL Number | MFCD16620250 |
| Molecular Formula | C8H8BrNO4 |
| Molecular Weight | 262.0574 |
| SMILES | BrC=1C=C(C(=C(C1)OC)[N+](=O)[O-])OC |
| Synonyms | 5-Bromo-1,3-dimethoxy-2-nitrobenzene,
815632-47-4,
SCHEMBL1000100,
JYBBJCVTCJWZRU-UHFFFAOYSA-N,
MFCD16620250,
ZINC98213379,
AKOS027323699,
5-bromo-1,3-dimethoxy-2-nitro-benzene,
AS-44767,
Benzene, 5-bromo-1,3-dimethoxy-2-nitro-,
FT-0707589,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.059g/mol |
| Monoisotopic Mass | 260.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number