| CAS Number | 1120334-30-6 |
| Catalog Number | AG019F2N |
| Chemical Name | Ethyl 7-nitro-2-phenyl-1H-indole-5-carboxylate |
| IUPAC Name | ethyl 7-nitro-2-phenyl-1H-indole-5-carboxylate |
| InChI | InChI=1S/C17H14N2O4/c1-2-23-17(20)13-8-12-9-14(11-6-4-3-5-7-11)18-16(12)15(10-13)19(21)22/h3-10,18H,2H2,1H3 |
| InChI Key | ZDSJBFGCCFUSDK-UHFFFAOYSA-N |
| MDL Number | MFCD31652813 |
| Molecular Formula | C17H14N2O4 |
| Molecular Weight | 310.3041 |
| SMILES | CCOC(=O)c1cc2cc([nH]c2c(c1)[N+](=O)[O-])c1ccccc1 |
| Synonyms | ethyl 7-nitro-2-phenyl-1H-indole-5-carboxylate,
1120334-30-6,
SCHEMBL3004155,
ZDSJBFGCCFUSDK-UHFFFAOYSA-N,
CS-0062131,
2-Phenyl-7-nitro-1H-indole-5-carboxylic acid ethyl ester,
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| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.309g/mol |
| Monoisotopic Mass | 310.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number