| CAS Number | 25186-40-7 |
| Catalog Number | AG00BIGU(AGN-PC-0WA7LA) |
| Chemical Name | 3-(Ethylamino)-4-nitrophenol |
| IUPAC Name | 3-(ethylamino)-4-nitrophenol |
| InChI | InChI=1S/C8H10N2O3/c1-2-9-7-5-6(11)3-4-8(7)10(12)13/h3-5,9,11H,2H2,1H3 |
| InChI Key | XGHCAGUTKGOOHI-UHFFFAOYSA-N |
| MDL Number | MFCD25121745 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | [O-][N+](=O)c1ccc(cc1NCC)O |
| Synonyms | 3-(Ethylamino)-4-nitrophenol,
25186-40-7,
ZINC95494790,
V4678,
C8H10N2O3,
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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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number