200,000+ products from a single source!
sales@angenechem.com
302803-72-1 | Benzenepropanenitrile, 2,4-dichloro-α-(3,4-dihydro-4-oxo-2(1H)-quinazolinylidene)-β-oxo-
CAS No: 302803-72-1 Catalog No: AG002ZGX MDL No:
Product Description
Catalog Number:
AG002ZGX
Chemical Name:
Benzenepropanenitrile, 2,4-dichloro-α-(3,4-dihydro-4-oxo-2(1H)-quinazolinylidene)-β-oxo-
CAS Number:
302803-72-1
Molecular Formula:
C17H9Cl2N3O2
Molecular Weight:
358.1783
IUPAC Name:
(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C17H9Cl2N3O2/c18-9-5-6-10(13(19)7-9)15(23)12(8-20)16-21-14-4-2-1-3-11(14)17(24)22-16/h1-7,23H,(H,21,22,24)/b15-12-
InChI Key:
UEZZGQDPOFILFH-QINSGFPZSA-N
SMILES:
N#CC(=c1[nH]c(=O)c2c([nH]1)cccc2)C(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
357.007g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.178g/mol
Monoisotopic Mass:
357.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.