| CAS Number | 851192-48-8 |
| Catalog Number | AG008GEI(AGN-PC-0OJNJA) |
| Chemical Name | trans-4-(2-Nitrovinyl)indole |
| IUPAC Name | 4-(2-nitroethenyl)-1H-indole |
| InChI | InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H |
| InChI Key | DQVWAEMRCAYLKH-UHFFFAOYSA-N |
| MDL Number | MFCD08741412 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | [O-][N+](=O)/C=C/c1cccc2c1cc[nH]2 |
| Synonyms | (E)-4-(2-nitrovinyl)-1H-indole,
1H-Indole, 4-[(1E)-2-nitroethenyl]-,
851192-48-8,
CTK2I4422,
CTK4J1752,
1H-Indole,4-(2-nitroethenyl)-,
DQVWAEMRCAYLKH-UHFFFAOYSA-N,
ANW-45446,
CN-215,
VI30212,
FT-0648939,
A827870,
4-(2-Nitrovinyl)-1H-indole,
4-(2-Nitrovinyl)indole,
4-(2-nitroethenyl)-1H-indole,
49839-99-8,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number