200,000+ products from a single source!
sales@angenechem.com
88605-34-9 | 9,10-Anthracenedione, 1,4-diamino-7-chloro-2-(4-methoxyphenoxy)-
CAS No: 88605-34-9 Catalog No: AG004AV9 MDL No:
Product Description
Catalog Number:
AG004AV9
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-7-chloro-2-(4-methoxyphenoxy)-
CAS Number:
88605-34-9
Molecular Formula:
C21H15ClN2O4
Molecular Weight:
394.8078
IUPAC Name:
1,4-diamino-7-chloro-2-(4-methoxyphenoxy)anthracene-9,10-dione
InChI:
InChI=1S/C21H15ClN2O4/c1-27-11-3-5-12(6-4-11)28-16-9-15(23)17-18(19(16)24)21(26)14-8-10(22)2-7-13(14)20(17)25/h2-9H,23-24H2,1H3
InChI Key:
BROUSPLQYIXOEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1cc(N)c2c(c1N)C(=O)c1c(C2=O)ccc(c1)Cl
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.072g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.811g/mol
Monoisotopic Mass:
394.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.