| CAS Number | 7464-91-7 |
| Catalog Number | AG005UZ9(AGN-PC-0JMFMI) |
| Chemical Name | 2-Formyl-5-nitrobenzoic acid |
| IUPAC Name | 2-formyl-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H5NO5/c10-4-5-1-2-6(9(13)14)3-7(5)8(11)12/h1-4H,(H,11,12) |
| InChI Key | IQZDAZHSOLMQJD-UHFFFAOYSA-N |
| MDL Number | MFCD06739576 |
| Molecular Formula | C8H5NO5 |
| Molecular Weight | 195.1290 |
| NSC Number | 400132 |
| SMILES | C(=O)C1=C(C(=O)O)C=C(C=C1)[N+](=O)[O-] |
| Synonyms | 2-formyl-5-nitrobenzoic acid,
7464-91-7,
2-Formyl-5-nitro-benzoic acid,
Benzoic acid,2-formyl-5-nitro-,
5-Nitrophthalaldehydic acid,
AC1L7YVZ,
2-carboxy-4-nitrobenzaldehyde,
CTK5E0205,
DTXSID70321971,
IQZDAZHSOLMQJD-UHFFFAOYSA-N,
ZINC1593010,
MFCD06739576,
NSC400132,
AKOS005209314,
NSC-400132,
2-formyl-5-nitrobenzoic acid, AldrichCPR,
CID343685,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.13g/mol |
| Monoisotopic Mass | 195.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number