1-(2-Methoxy-4-nitrophenyl)pyrrolidine - CAS 67828-57-3
Catalog: |
BB033408 |
Product Name: |
1-(2-Methoxy-4-nitrophenyl)pyrrolidine |
CAS: |
67828-57-3 |
Synonyms: |
1-(2-methoxy-4-nitrophenyl)pyrrolidine; 1-(2-methoxy-4-nitrophenyl)pyrrolidine |
IUPAC Name: | 1-(2-methoxy-4-nitrophenyl)pyrrolidine |
Description: | 1-(2-Methoxy-4-nitrophenyl)pyrrolidine (CAS# 67828-57-3 ) is a useful research chemical. |
Molecular Weight: | 222.24 |
Molecular Formula: | C11H14N2O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2 |
InChI: | InChI=1S/C11H14N2O3/c1-16-11-8-9(13(14)15)4-5-10(11)12-6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3 |
InChI Key: | ULBJILHSWMGASA-UHFFFAOYSA-N |
Boiling Point: | 391.8 °C at 760 mmHg |
Density: | 1.235 g/cm3 |
LogP: | 2.79180 |
Publication Number | Title | Priority Date |
WO-2014183300-A1 | Vegfr tyrosine kinase inhibitors | 20130517 |
EP-1987039-A2 | Melanin concentrating hormone receptor-1 antagonists | 20060206 |
US-2007185097-A1 | Melanin concentrating hormone receptor-1 antagonists | 20060206 |
US-2009221548-A1 | Melanin concentrating hormone receptor-1 antagonists | 20060206 |
US-7553836-B2 | Melanin concentrating hormone receptor-1 antagonists | 20060206 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.10044231 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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