Ethyl 5-Nitropyrrole-2-carboxylate - CAS 36131-46-1
Catalog: |
BB022873 |
Product Name: |
Ethyl 5-Nitropyrrole-2-carboxylate |
CAS: |
36131-46-1 |
Synonyms: |
5-nitro-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 5-nitro-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 5-nitro-1H-pyrrole-2-carboxylate |
Description: | Ethyl 5-Nitropyrrole-2-carboxylate (CAS# 36131-46-1) is a useful research chemical. |
Molecular Weight: | 184.15 |
Molecular Formula: | C7H8N2O4 |
Canonical SMILES: | CCOC(=O)C1=CC=C(N1)[N+](=O)[O-] |
InChI: | InChI=1S/C7H8N2O4/c1-2-13-7(10)5-3-4-6(8-5)9(11)12/h3-4,8H,2H2,1H3 |
InChI Key: | CVUNOXYEWWXPCU-UHFFFAOYSA-N |
Boiling Point: | 347.7 °C at 760 mmHg |
Density: | 1.374 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD09025771 |
LogP: | 1.62280 |
Publication Number | Title | Priority Date |
EP-2948454-A1 | Triazine compounds and a process for preparation thereof | 20130124 |
EP-2948454-B1 | Triazine compounds and a process for preparation thereof | 20130124 |
US-2015353566-A1 | Triazine compounds and a process for preparation thereof | 20130124 |
US-9447105-B2 | Triazine compounds and a process for preparation thereof | 20130124 |
WO-2014115171-A1 | Triazine compounds and a process for preparation thereof | 20130124 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.04840674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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