| CAS Number | 116435-75-7 |
| Catalog Number | AG000CHX(AGN-PC-0NFG80) |
| Chemical Name | Benzenamine, 3-ethoxy-4-nitro- |
| IUPAC Name | 3-ethoxy-4-nitroaniline |
| InChI | InChI=1S/C8H10N2O3/c1-2-13-8-5-6(9)3-4-7(8)10(11)12/h3-5H,2,9H2,1H3 |
| InChI Key | PQKLWSDPMIJHSY-UHFFFAOYSA-N |
| MDL Number | MFCD18861056 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CCOC1=C([N+]([O-])=O)C=CC(N)=C1 |
| Synonyms | 3-Ethoxy-4-nitroaniline,
116435-75-7,
Benzenamine, 3-ethoxy-4-nitro-,
3-(ethyloxy)-4-nitroaniline,
3-ethoxy-4-nitro-aniline,
ACMC-20mmff,
zlchem 1352,
SCHEMBL6383543,
CTK0G0489,
DTXSID30454219,
ZLE0130,
PQKLWSDPMIJHSY-UHFFFAOYSA-N,
MFCD18861056,
ZINC82523369,
AKOS012983149,
AS-47393,
SY215699,
MFCD18861056 (95%),
Z2512942975,
CID11074030,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number