5-Benzyloxy-3-(2-nitro-vinyl)-indole - CAS 37629-41-7
Catalog: |
BB042551 |
Product Name: |
5-Benzyloxy-3-(2-nitro-vinyl)-indole |
CAS: |
37629-41-7 |
Synonyms: |
(E)-5-(Benzyloxy)-3-(2-nitrovinyl)-1H-indole; CTK5D1364; AKOS032961536 |
IUPAC Name: | 3-(2-nitroethenyl)-5-phenylmethoxy-1H-indole |
Description: | 5-Benzyloxy-3-(2-nitro-vinyl)-indole (CAS# 37629-41-7 ) is a useful research chemical. |
Molecular Weight: | 294.30 |
Molecular Formula: | C17H14N2O3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=C[N+](=O)[O-] |
InChI: | InChI=1S/C17H14N2O3/c20-19(21)9-8-14-11-18-17-7-6-15(10-16(14)17)22-12-13-4-2-1-3-5-13/h1-11,18H,12H2 |
InChI Key: | VHFAFPNKRNJZPV-UHFFFAOYSA-N |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 294.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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