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116-80-3 | Benzamide, N-(5-chloro-9,10-dihydro-4-methoxy-9,10-dioxo-1-anthracenyl)-
CAS No: 116-80-3 Catalog No: AG000BCB MDL No:
Product Description
Catalog Number:
AG000BCB
Chemical Name:
Benzamide, N-(5-chloro-9,10-dihydro-4-methoxy-9,10-dioxo-1-anthracenyl)-
CAS Number:
116-80-3
Molecular Formula:
C22H14ClNO4
Molecular Weight:
391.8039
IUPAC Name:
N-(5-chloro-4-methoxy-9,10-dioxoanthracen-1-yl)benzamide
InChI:
InChI=1S/C22H14ClNO4/c1-28-16-11-10-15(24-22(27)12-6-3-2-4-7-12)18-19(16)21(26)17-13(20(18)25)8-5-9-14(17)23/h2-11H,1H3,(H,24,27)
InChI Key:
ZUENIEUULTXURC-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)c1c(C2=O)cccc1Cl)NC(=O)c1ccccc1
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.061g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.807g/mol
Monoisotopic Mass:
391.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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