| CAS Number | 875258-18-7 |
| Catalog Number | AG00IENV(AGN-PC-0WCYUG) |
| Chemical Name | Ethyl 2-(4-bromo-3-nitrophenyl)acetate |
| IUPAC Name | ethyl 2-(4-bromo-3-nitrophenyl)acetate |
| InChI | InChI=1S/C10H10BrNO4/c1-2-16-10(13)6-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6H2,1H3 |
| InChI Key | AHCPQJTZILYMBN-UHFFFAOYSA-N |
| MDL Number | MFCD28133586 |
| Molecular Formula | C10H10BrNO4 |
| Molecular Weight | 288.0947 |
| SMILES | CCOC(CC1=CC([N+]([O-])=O)=C(Br)C=C1)=O |
| Synonyms | Ethyl 2-(4-bromo-3-nitrophenyl)acetate,
875258-18-7,
AHCPQJTZILYMBN-UHFFFAOYSA-N,
ethyl(4-bromo-3-nitrophenyl)acetate,
MFCD18396016,
AKOS027338595,
Ethyl (4-bromo-3-nitrophenyl)acetate,
ZINC260276229,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.097g/mol |
| Monoisotopic Mass | 286.979g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number