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88604-96-0 | 9,10-Anthracenedione, 1-amino-7-chloro-4-hydroxy-2-(2-phenylethoxy)-
CAS No: 88604-96-0 Catalog No: AG004AVH MDL No:
Product Description
Catalog Number:
AG004AVH
Chemical Name:
9,10-Anthracenedione, 1-amino-7-chloro-4-hydroxy-2-(2-phenylethoxy)-
CAS Number:
88604-96-0
Molecular Formula:
C22H16ClNO4
Molecular Weight:
393.8197
IUPAC Name:
1-amino-7-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione
InChI:
InChI=1S/C22H16ClNO4/c23-13-6-7-14-15(10-13)22(27)19-18(21(14)26)16(25)11-17(20(19)24)28-9-8-12-4-2-1-3-5-12/h1-7,10-11,25H,8-9,24H2
InChI Key:
FBOFBMQLFZINNI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)c(O)cc(c1N)OCCc1ccccc1
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.077g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.823g/mol
Monoisotopic Mass:
393.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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