| CAS Number | 5493-71-0 |
| Catalog Number | AG003GUL(AGN-PC-001452) |
| Chemical Name | 2-Chloro-1-ethoxy-4-nitrobenzene |
| IUPAC Name | 2-chloro-1-ethoxy-4-nitrobenzene |
| InChI | InChI=1S/C8H8ClNO3/c1-2-13-8-4-3-6(10(11)12)5-7(8)9/h3-5H,2H2,1H3 |
| InChI Key | VKLNEPUDOYKJDE-UHFFFAOYSA-N |
| MDL Number | MFCD15143590 |
| Molecular Formula | C8H8ClNO3 |
| Molecular Weight | 201.6070 |
| SMILES | O=[N+](C1=CC=C(OCC)C(Cl)=C1)[O-] |
| Synonyms | 2-CHLORO-1-ETHOXY-4-NITROBENZENE,
5493-71-0,
2-chloro-4-nitro-phenetole,
ACMC-209lk9,
SCHEMBL6816187,
CTK5A2791,
DTXSID00559189,
ANW-32215,
MFCD15143590,
ZINC13386385,
AKOS015849960,
AJ-63780,
TR-037057,
V6561,
I01-11504,
C8H8ClNO3,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.606g/mol |
| Monoisotopic Mass | 201.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number