1-Benzyloxy-3-methyl-2-nitrobenzene - CAS 61535-21-5
Catalog: |
BB031164 |
Product Name: |
1-Benzyloxy-3-methyl-2-nitrobenzene |
CAS: |
61535-21-5 |
Synonyms: |
1-methyl-2-nitro-3-phenylmethoxybenzene |
IUPAC Name: | 1-methyl-2-nitro-3-phenylmethoxybenzene |
Description: | 1-Benzyloxy-3-methyl-2-nitrobenzene (CAS# 61535-21-5) is a useful research chemical. |
Molecular Weight: | 243.26 |
Molecular Formula: | C14H13NO3 |
Canonical SMILES: | CC1=C(C(=CC=C1)OCC2=CC=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3 |
InChI Key: | ZUMJNYJMXBJJIC-UHFFFAOYSA-N |
Boiling Point: | 150 ℃ / 1.5 mmHg (lit.) |
Density: | 1.738 g/mL at 25℃(lit.) |
MDL: | MFCD00272556 |
LogP: | 4.00540 |
Publication Number | Title | Priority Date |
US-2019367469-A1 | Benzocyclobutane derivatives useful as dual sglt1 / sglt2 modulators | 20161110 |
WO-2018089449-A1 | Benzocyclobutane derivatives useful as dual sglt1/sglt2 modulators | 20161110 |
US-10815210-B2 | Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators | 20161110 |
JP-2010229034-A | Bicyclic pyrrole derivatives | 20070726 |
EP-2157859-A1 | Indazole compounds for activating glucokinase | 20070619 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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