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88605-48-5 | 9,10-Anthracenedione, 1,4-diamino-2-butoxy-7-chloro-
CAS No: 88605-48-5 Catalog No: AG004CBL MDL No:
Product Description
Catalog Number:
AG004CBL
Chemical Name:
9,10-Anthracenedione, 1,4-diamino-2-butoxy-7-chloro-
CAS Number:
88605-48-5
Molecular Formula:
C18H17ClN2O3
Molecular Weight:
344.7922
IUPAC Name:
1,4-diamino-2-butoxy-7-chloroanthracene-9,10-dione
InChI:
InChI=1S/C18H17ClN2O3/c1-2-3-6-24-13-8-12(20)14-15(16(13)21)18(23)11-7-9(19)4-5-10(11)17(14)22/h4-5,7-8H,2-3,6,20-21H2,1H3
InChI Key:
PXPVCAGAISZLQW-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(N)c2c(c1N)C(=O)c1c(C2=O)ccc(c1)Cl
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.795g/mol
Monoisotopic Mass:
344.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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