| CAS Number | 20357-30-6 |
| Catalog Number | AG0028ZL(AGN-PC-0WAA32) |
| Chemical Name | 4-Bromo-2-nitrocinnamic acid |
| IUPAC Name | (E)-3-(4-bromo-2-nitrophenyl)prop-2-enoic acid |
| InChI | InChI=1S/C9H6BrNO4/c10-7-3-1-6(2-4-9(12)13)8(5-7)11(14)15/h1-5H,(H,12,13)/b4-2+ |
| InChI Key | KPPLDWZFIDADCX-DUXPYHPUSA-N |
| MDL Number | MFCD08061925 |
| Molecular Formula | C9H6BrNO4 |
| Molecular Weight | 272.0522 |
| SMILES | OC(C=CC1=C([N+]([O-])=O)C=C(Br)C=C1)=O |
| Synonyms | 4-BROMO-2-NITROCINNAMIC ACID,
20357-30-6,
PubChem4326,
SCHEMBL4954257,
0433AB,
MFCD08061925,
ZINC39953685,
AKOS016009591,
FCH4908769,
ACM20357306,
BBV-51320080,
BC002757,
AJ-101363,
AX8161201,
TC-112786,
B-7755,
C9H6BrNO4,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 270.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.054g/mol |
| Monoisotopic Mass | 270.948g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number