Methyl 7-Nitroindole-3-acetate - CAS 1496-81-7
Catalog: |
BB010436 |
Product Name: |
Methyl 7-Nitroindole-3-acetate |
CAS: |
1496-81-7 |
Synonyms: |
2-(7-nitro-1H-indol-3-yl)acetic acid methyl ester; methyl 2-(7-nitro-1H-indol-3-yl)acetate |
IUPAC Name: | methyl 2-(7-nitro-1H-indol-3-yl)acetate |
Description: | Methyl 7-Nitroindole-3-acetate (CAS# 1496-81-7 ) 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/c1-17-10(14)5-7-6-12-11-8(7)3-2-4-9(11)13(15)16/h2-4,6,12H,5H2,1H3 |
InChI Key: | SGGUKELSEXDIDH-UHFFFAOYSA-N |
LogP: | 2.31480 |
Publication Number | Title | Priority Date |
AU-2008262406-A1 | Tricyclic anilide heterocyclic CGRP receptor antagonists | 20070607 |
CA-2689444-A1 | Tricyclic anilide heterocyclic cgrp receptor antagonists | 20070607 |
EP-2166842-A1 | Tricyclic anilide heterocyclic cgrp receptor antagonists | 20070607 |
US-2010137328-A1 | Tricyclic anilide heterocyclic cgrp receptor antagonists | 20070607 |
US-8163752-B2 | Tricyclic anilide heterocyclic CGRP receptor antagonists | 20070607 |
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: | 1.7 |
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