200,000+ products from a single source!
sales@angenechem.com
89477-97-4 | 1,4-Naphthalenedione, 2-[(4-chlorophenyl)thio]-3-[(4-nitrophenyl)thio]-
CAS No: 89477-97-4 Catalog No: AG00423D MDL No:
Product Description
Catalog Number:
AG00423D
Chemical Name:
1,4-Naphthalenedione, 2-[(4-chlorophenyl)thio]-3-[(4-nitrophenyl)thio]-
CAS Number:
89477-97-4
Molecular Formula:
C22H12ClNO4S2
Molecular Weight:
453.9180
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-3-(4-nitrophenyl)sulfanylnaphthalene-1,4-dione
InChI:
InChI=1S/C22H12ClNO4S2/c23-13-5-9-15(10-6-13)29-21-19(25)17-3-1-2-4-18(17)20(26)22(21)30-16-11-7-14(8-12-16)24(27)28/h1-12H
InChI Key:
IMOVJFJRKJPUHQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)SC1=C(Sc2ccc(cc2)[N+](=O)[O-])C(=O)c2c(C1=O)cccc2
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.99g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.911g/mol
Monoisotopic Mass:
452.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.