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88605-50-9 | 9,10-Anthracenedione, 1,4-diamino-7-chloro-2-(2-phenoxyethoxy)-
CAS No: 88605-50-9 Catalog No: AG004AJT MDL No:
Product Description
Catalog Number:
AG004AJT
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-7-chloro-2-(2-phenoxyethoxy)-
CAS Number:
88605-50-9
Molecular Formula:
C22H17ClN2O4
Molecular Weight:
408.8344
IUPAC Name:
1,4-diamino-7-chloro-2-(2-phenoxyethoxy)anthracene-9,10-dione
InChI:
InChI=1S/C22H17ClN2O4/c23-12-6-7-14-15(10-12)22(27)19-18(21(14)26)16(24)11-17(20(19)25)29-9-8-28-13-4-2-1-3-5-13/h1-7,10-11H,8-9,24-25H2
InChI Key:
PUDYNNDRZPNNOE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(N)cc(c1N)OCCOc1ccccc1
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.088g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.838g/mol
Monoisotopic Mass:
408.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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