| CAS Number | 1951439-64-7 |
| Catalog Number | AG00I36H(AGN-PC-0WQWM1) |
| Chemical Name | 2-Amino-3-bromo-5-nitrobenzaldehyde |
| IUPAC Name | 2-amino-3-bromo-5-nitrobenzaldehyde |
| InChI | InChI=1S/C7H5BrN2O3/c8-6-2-5(10(12)13)1-4(3-11)7(6)9/h1-3H,9H2 |
| InChI Key | WLZCOZHKZWETRD-UHFFFAOYSA-N |
| MDL Number | MFCD29764363 |
| Molecular Formula | C7H5BrN2O3 |
| Molecular Weight | 245.0302 |
| SMILES | O=Cc1cc(cc(c1N)Br)[N+](=O)[O-] |
| Synonyms | 2-Amino-3-bromo-5-nitrobenzaldehyde,
1951439-64-7,
ZINC224807183,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.94835g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.03g/mol |
| Monoisotopic Mass | 243.94835g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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