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88605-06-5

88605-06-5 | 9,10-Anthracenedione, 1-amino-7-chloro-4-hydroxy-2-propoxy-

CAS No: 88605-06-5 Catalog No: AG004CHG MDL No:

Product Description

Catalog Number:
AG004CHG
Chemical Name:
9,10-Anthracenedione, 1-amino-7-chloro-4-hydroxy-2-propoxy-
CAS Number:
88605-06-5
Molecular Formula:
C17H14ClNO4
Molecular Weight:
331.7504
IUPAC Name:
1-amino-7-chloro-4-hydroxy-2-propoxyanthracene-9,10-dione
InChI:
InChI=1S/C17H14ClNO4/c1-2-5-23-12-7-11(20)13-14(15(12)19)17(22)10-6-8(18)3-4-9(10)16(13)21/h3-4,6-7,20H,2,5,19H2,1H3
InChI Key:
HDXNFGCJFMDUBE-UHFFFAOYSA-N
SMILES:
CCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)ccc(c1)Cl

Properties

Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.061g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.752g/mol
Monoisotopic Mass:
331.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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