5-(Benzyloxy)-4-methoxy-2-nitrobenzonitrile - CAS 192869-56-0
Catalog: |
BB014906 |
Product Name: |
5-(Benzyloxy)-4-methoxy-2-nitrobenzonitrile |
CAS: |
192869-56-0 |
Synonyms: |
4-methoxy-2-nitro-5-phenylmethoxybenzonitrile; 4-methoxy-2-nitro-5-phenylmethoxybenzonitrile |
IUPAC Name: | 4-methoxy-2-nitro-5-phenylmethoxybenzonitrile |
Description: | 5-(Benzyloxy)-4-methoxy-2-nitrobenzonitrile (CAS# 192869-56-0) is a useful research chemical. |
Molecular Weight: | 284.27 |
Molecular Formula: | C15H12N2O4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)[N+](=O)[O-])C#N)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C15H12N2O4/c1-20-14-8-13(17(18)19)12(9-16)7-15(14)21-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3 |
InChI Key: | YVPZEYWNUBKJEA-UHFFFAOYSA-N |
LogP: | 3.57728 |
Publication Number | Title | Priority Date |
TW-201934122-A | Quinazolinamine derivatives and pharmaceutical compositions and uses thereof | 20180209 |
TW-I660728-B | Quinazolinamine derivatives and pharmaceutical compositions and uses thereof | 20180209 |
US-10251886-B1 | 4-anilinoquinazoline derivative and albumin conjugates thereof | 20180209 |
AU-2014389984-A1 | Process of preparing a quinazoline derivative | 20140610 |
CA-2914990-A1 | Process of preparing a quinazoline derivative | 20140610 |
Complexity: | 394 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.07970687 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.07970687 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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