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88602-45-3 | 9,10-Anthracenedione, 4-amino-6-chloro-1-hydroxy-2-phenoxy-
CAS No: 88602-45-3 Catalog No: AG004AVN MDL No:
Product Description
Catalog Number:
AG004AVN
Chemical Name:
9,10-Anthracenedione, 4-amino-6-chloro-1-hydroxy-2-phenoxy-
CAS Number:
88602-45-3
Molecular Formula:
C20H12ClNO4
Molecular Weight:
365.7666
IUPAC Name:
4-amino-6-chloro-1-hydroxy-2-phenoxyanthracene-9,10-dione
InChI:
InChI=1S/C20H12ClNO4/c21-10-6-7-12-13(8-10)19(24)16-14(22)9-15(20(25)17(16)18(12)23)26-11-4-2-1-3-5-11/h1-9,25H,22H2
InChI Key:
RTNAMOZBNIOLEX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(cc1N)Oc1ccccc1
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.045g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.769g/mol
Monoisotopic Mass:
365.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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