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88605-14-5 | 9,10-Anthracenedione, 4-amino-6-chloro-1-hydroxy-2-(phenylmethoxy)-
CAS No: 88605-14-5 Catalog No: AG004AK2 MDL No:
Product Description
Catalog Number:
AG004AK2
Chemical Name:
9,10-Anthracenedione, 4-amino-6-chloro-1-hydroxy-2-(phenylmethoxy)-
CAS Number:
88605-14-5
Molecular Formula:
C21H14ClNO4
Molecular Weight:
379.7932
IUPAC Name:
4-amino-6-chloro-1-hydroxy-2-phenylmethoxyanthracene-9,10-dione
InChI:
InChI=1S/C21H14ClNO4/c22-12-6-7-13-14(8-12)20(25)17-15(23)9-16(21(26)18(17)19(13)24)27-10-11-4-2-1-3-5-11/h1-9,26H,10,23H2
InChI Key:
FYDNVCLNCFDIKX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(cc1N)OCc1ccccc1
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.061g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.796g/mol
Monoisotopic Mass:
379.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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