| CAS Number | 741738-54-5 |
| Catalog Number | AG00FF3P(AGN-PC-0LGYF2) |
| Chemical Name | 2-Ethoxy-5-nitrobenzaldehyde |
| IUPAC Name | 2-ethoxy-5-nitrobenzaldehyde |
| InChI | InChI=1S/C9H9NO4/c1-2-14-9-4-3-8(10(12)13)5-7(9)6-11/h3-6H,2H2,1H3 |
| InChI Key | FIRASLIMSQEZFO-UHFFFAOYSA-N |
| MDL Number | MFCD00774368 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | CCOC1=C(C=O)C=C([N+]([O-])=O)C=C1 |
| Synonyms | 2-ethoxy-5-nitrobenzaldehyde,
741738-54-5,
AC1NHJW3,
AC1Q35LU,
SCHEMBL4998777,
Benzaldehyde,2-ethoxy-5-nitro-,
CTK5D9473,
DTXSID90406350,
FIRASLIMSQEZFO-UHFFFAOYSA-N,
ZINC2756600,
STK397885,
AKOS000290621,
MCULE-4187779297,
NE23393,
Benzaldehyde, 2-ethoxy-5-nitro- (9CI),
ST45136691,
EN300-61470,
2-ethoxy-5-nitro-benzaldehyde,
CID4766542,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.174g/mol |
| Monoisotopic Mass | 195.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number