Ethyl 4-nitro-1H-indole-2-carboxylate - CAS 4993-93-5
Catalog: |
BB046744 |
Product Name: |
Ethyl 4-nitro-1H-indole-2-carboxylate |
CAS: |
4993-93-5 |
Synonyms: |
Ethyl 4-nitroindole-2-carboxylate; 4-Nitro-indole-2-carboxylic acid ethyl ester; 1H-Indole-2-carboxylic acid, 4-nitro-, ethyl ester; ethyl 4-nitro-2-indolecarboxylate |
IUPAC Name: | ethyl 4-nitro-1H-indole-2-carboxylate |
Description: | Ethyl 4-nitro-1H-indole-2-carboxylate (CAS# 4993-93-5 ) is a useful research chemical. |
Molecular Weight: | 234.21 |
Molecular Formula: | C11H10N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC=C2[N+](=O)[O-] |
InChI: | InChI=1S/C11H10N2O4/c1-2-17-11(14)9-6-7-8(12-9)4-3-5-10(7)13(15)16/h3-6,12H,2H2,1H3 |
InChI Key: | LXUABEANNNKOLF-UHFFFAOYSA-N |
Boiling Point: | 429.5 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.393 g/cm3 |
Appearance: | Yellow solid |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.0640568 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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