| CAS Number | 528872-23-3 |
| Catalog Number | AG00I9G3(AGN-PC-07QVFW) |
| Chemical Name | Ethyl 4-bromo-2-nitrobenzoate |
| IUPAC Name | ethyl 4-bromo-2-nitrobenzoate |
| InChI | InChI=1S/C9H8BrNO4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2H2,1H3 |
| InChI Key | HBBNMJSSYTXTPH-UHFFFAOYSA-N |
| MDL Number | MFCD12031868 |
| Molecular Formula | C9H8BrNO4 |
| Molecular Weight | 274.0681 |
| SMILES | CCOC(C1=C([N+]([O-])=O)C=C(Br)C=C1)=O |
| Synonyms | ethyl 4-bromo-2-nitrobenzoate,
528872-23-3,
SCHEMBL6350616,
MFCD12031868,
ZINC47202665,
AKOS025128637,
2-Nitro-4-bromobenzoic acid ethyl ester,
FT-0759787,
Benzoic acid, 4-bromo-2-nitro-, ethyl ester,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.07g/mol |
| Monoisotopic Mass | 272.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number