| CAS Number | 405170-93-6 |
| Catalog Number | AG01C57Z(AGN-PC-03UIC7) |
| Chemical Name | 2-Nitro-4-(thiophen-2-yl)aniline |
| IUPAC Name | 2-nitro-4-thiophen-2-ylaniline |
| InChI | InChI=1S/C10H8N2O2S/c11-8-4-3-7(6-9(8)12(13)14)10-2-1-5-15-10/h1-6H,11H2 |
| InChI Key | YAYYYILNXVGFEZ-UHFFFAOYSA-N |
| MDL Number | MFCD27950461 |
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.2477 |
| SMILES | NC1=C([N+]([O-])=O)C=C(C2SC=CC=2)C=C1 |
| Synonyms | 2-nitro-4-(thiophen-2-yl)aniline,
405170-93-6,
Benzenamine, 2-nitro-4-(2-thienyl)-,
4-thienyl-2-nitroaniline,
SCHEMBL651066,
2-Nitro4-(2-thienyl)phenylamine,
YAYYYILNXVGFEZ-UHFFFAOYSA-N,
2-Nitro-4-(2-thienyl)phenylamine,
2-nitro -4-(2-thienyl)phenylamine,
ZINC114316038,
A1-13179,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.246g/mol |
| Monoisotopic Mass | 220.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number