Methyl 6-Nitroindole-3-acetate - CAS 2097800-34-3
Catalog: |
BB016490 |
Product Name: |
Methyl 6-Nitroindole-3-acetate |
CAS: |
2097800-34-3 |
Synonyms: |
2-(6-nitro-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(6-nitro-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(6-nitro-1H-indol-3-yl)acetate |
Description: | Methyl 6-Nitroindole-3-acetate (CAS# 2097800-34-3 ) is a useful research chemical. |
Molecular Weight: | 234.21 |
Molecular Formula: | C11H10N2O4 |
Canonical SMILES: | COC(=O)CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H10N2O4/c1-17-11(14)4-7-6-12-10-5-8(13(15)16)2-3-9(7)10/h2-3,5-6,12H,4H2,1H3 |
InChI Key: | RIUFMQLMWHVLLX-UHFFFAOYSA-N |
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: | 1.6 |
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