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88605-15-6 | 9,10-Anthracenedione, 4-amino-6-chloro-1-hydroxy-2-methoxy-
CAS No: 88605-15-6 Catalog No: AG004CHE MDL No:
Product Description
Catalog Number:
AG004CHE
Chemical Name:
9,10-Anthracenedione, 4-amino-6-chloro-1-hydroxy-2-methoxy-
CAS Number:
88605-15-6
Molecular Formula:
C15H10ClNO4
Molecular Weight:
303.6972
IUPAC Name:
4-amino-6-chloro-1-hydroxy-2-methoxyanthracene-9,10-dione
InChI:
InChI=1S/C15H10ClNO4/c1-21-10-5-9(17)11-12(15(10)20)13(18)7-3-2-6(16)4-8(7)14(11)19/h2-5,20H,17H2,1H3
InChI Key:
OWFXZGHPSXUAPK-UHFFFAOYSA-N
SMILES:
COc1cc(N)c2c(c1O)C(=O)c1c(C2=O)cc(cc1)Cl
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.03g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.698g/mol
Monoisotopic Mass:
303.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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