| CAS Number | 85355-50-6 |
| Catalog Number | AG00IDMX(AGN-PC-0OJV1Q) |
| Chemical Name | 2-(2-Bromo-6-nitrophenyl)acetaldehyde |
| IUPAC Name | 2-(2-bromo-6-nitrophenyl)acetaldehyde |
| InChI | InChI=1S/C8H6BrNO3/c9-7-2-1-3-8(10(12)13)6(7)4-5-11/h1-3,5H,4H2 |
| InChI Key | OOKCQYFQNZMYAK-UHFFFAOYSA-N |
| MDL Number | MFCD28401460 |
| Molecular Formula | C8H6BrNO3 |
| Molecular Weight | 244.0421 |
| SMILES | BrC1=C(C(=CC=C1)[N+](=O)[O-])CC=O |
| Synonyms | 2-(2-Bromo-6-nitrophenyl)acetaldehyde,
85355-50-6,
MFCD28401460,
AKOS030527478,
ZINC196739975,
Benzeneacetaldehyde, 2-bromo-6-nitro-,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.044g/mol |
| Monoisotopic Mass | 242.953g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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