200,000+ products from a single source!
sales@angenechem.com
17612-57-6 | 9,10-Anthracenedione, 1,1'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis-
CAS No: 17612-57-6 Catalog No: AG0021GA MDL No:
Product Description
Catalog Number:
AG0021GA
Chemical Name:
9,10-Anthracenedione, 1,1'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis-
CAS Number:
17612-57-6
Molecular Formula:
C31H16ClN5O4
Molecular Weight:
557.9428
IUPAC Name:
1-[[4-chloro-6-[(9,10-dioxoanthracen-1-yl)amino]-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione
InChI:
InChI=1S/C31H16ClN5O4/c32-29-35-30(33-21-13-5-11-19-23(21)27(40)17-9-3-1-7-15(17)25(19)38)37-31(36-29)34-22-14-6-12-20-24(22)28(41)18-10-4-2-8-16(18)26(20)39/h1-14H,(H2,33,34,35,36,37)
InChI Key:
KHPBJIXNYDHOLY-UHFFFAOYSA-N
SMILES:
Clc1nc(nc(n1)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
EC Number:
241-588-0
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.089g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
557.95g/mol
Monoisotopic Mass:
557.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.