| CAS Number | 4748-80-5 |
| Catalog Number | AG00DHTL(AGN-PC-0KBOH5) |
| Chemical Name | 4-ETHYL-3-NITROBENZALDEHYDE 97 |
| IUPAC Name | 4-ethyl-3-nitrobenzaldehyde |
| InChI | InChI=1S/C9H9NO3/c1-2-8-4-3-7(6-11)5-9(8)10(12)13/h3-6H,2H2,1H3 |
| InChI Key | PQNRTCSIGGYXNB-UHFFFAOYSA-N |
| MDL Number | MFCD03982635 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | CCc1ccc(cc1[N+](=O)[O-])C=O |
| Synonyms | 4-Ethyl-3-nitrobenzaldehyde,
4748-80-5,
Benzaldehyde,4-ethyl-3-nitro-,
AC1M10SB,
4-ethyl-3-nitro-benzaldehyde,
SCHEMBL2924523,
CTK4J0033,
DTXSID50366168,
PQNRTCSIGGYXNB-UHFFFAOYSA-N,
ZINC2522284,
4-Ethyl-3-nitrobenzaldehyde, 97%,
AKOS001360330,
MCULE-9965359128,
4-ETHYL-3-NITROBENZALDEHYDE 97,
DB-070816,
FT-0722578,
KS-00001957,
ZINC02522284,
CID2060457,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number