Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate - CAS 61149-52-8
Catalog: |
BB042430 |
Product Name: |
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate |
CAS: |
61149-52-8 |
Synonyms: |
1H-Indole-2-carboxylic acid, 4-methyl-7-nitro-, ethyl ester |
IUPAC Name: | ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate |
Description: | Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate (CAS# 61149-52-8 ) is a useful research chemical. |
Molecular Weight: | 248.23 |
Molecular Formula: | C12H12N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=CC(=C2N1)[N+](=O)[O-])C |
InChI: | InChI=1S/C12H12N2O4/c1-3-18-12(15)9-6-8-7(2)4-5-10(14(16)17)11(8)13-9/h4-6,13H,3H2,1-2H3 |
InChI Key: | JYZODQLAYLYUAS-UHFFFAOYSA-N |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.07970687 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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