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88604-98-2 | 9,10-Anthracenedione, 1-amino-6-chloro-2-(2-ethoxyethoxy)-4-hydroxy-
CAS No: 88604-98-2 Catalog No: AG004AVG MDL No:
Product Description
Catalog Number:
AG004AVG
Chemical Name:
9,10-Anthracenedione, 1-amino-6-chloro-2-(2-ethoxyethoxy)-4-hydroxy-
CAS Number:
88604-98-2
Molecular Formula:
C18H16ClNO5
Molecular Weight:
361.7763
IUPAC Name:
1-amino-6-chloro-2-(2-ethoxyethoxy)-4-hydroxyanthracene-9,10-dione
InChI:
InChI=1S/C18H16ClNO5/c1-2-24-5-6-25-13-8-12(21)14-15(16(13)20)17(22)10-4-3-9(19)7-11(10)18(14)23/h3-4,7-8,21H,2,5-6,20H2,1H3
InChI Key:
GZNCCYBTTWDUNC-UHFFFAOYSA-N
SMILES:
CCOCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cc(cc1)Cl
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.778g/mol
Monoisotopic Mass:
361.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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