| CAS Number | 56985-87-6 |
| Catalog Number | AG01DWI5(AGN-PC-0JSGQ1) |
| Chemical Name | 4-Nitrophenyl 2-bromopropanoate |
| IUPAC Name | (4-nitrophenyl) 2-bromopropanoate |
| InChI | InChI=1S/C9H8BrNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3 |
| InChI Key | LOVOFTZGZYJDIM-UHFFFAOYSA-N |
| MDL Number | MFCD25964750 |
| Molecular Formula | C9H8BrNO4 |
| Molecular Weight | 274.0681 |
| SMILES | BrC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C |
| Synonyms | 4-nitrophenyl 2-bromopropanoate,
56985-87-6,
2-Bromopropionic acid, 4-nitrophenyl ester,
4-nitrophenyl 2-bromopropionate,
AC1LBBI3,
SCHEMBL18285287,
CTK6A3521,
LOVOFTZGZYJDIM-UHFFFAOYSA-N,
(4-nitrophenyl) 2-bromopropanoate,
AKOS028111468,
Propanoic acid, 2-bromo-, 4-nitrophenyl ester,
CID532749,
Propanoicacid,2-bromo-,4-nitrophenylester,
|
| Complexity | 245 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number