200,000+ products from a single source!
sales@angenechem.com
20872-75-7 | Phosphonic acid, (1-cyano-2(1H)-isoquinolinyl)-, diethyl ester (9CI)
CAS No: 20872-75-7 Catalog No: AG002JVK MDL No:
Product Description
Catalog Number:
AG002JVK
Chemical Name:
Phosphonic acid, (1-cyano-2(1H)-isoquinolinyl)-, diethyl ester (9CI)
CAS Number:
20872-75-7
Molecular Formula:
C14H17N2O3P
Molecular Weight:
292.2701
IUPAC Name:
2-diethoxyphosphoryl-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C14H17N2O3P/c1-3-18-20(17,19-4-2)16-10-9-12-7-5-6-8-13(12)14(16)11-15/h5-10,14H,3-4H2,1-2H3
InChI Key:
CIFMUIDPXSKEQN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(N1C=Cc2c(C1C#N)cccc2)OCC
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.275g/mol
Monoisotopic Mass:
292.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.