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117-05-5 | Benzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS No: 117-05-5 Catalog No: AG000DI0 MDL No:
Product Description
Catalog Number:
AG000DI0
Chemical Name:
Benzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS Number:
117-05-5
Molecular Formula:
C21H12ClNO3
Molecular Weight:
361.7779
IUPAC Name:
N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
InChI:
InChI=1S/C21H12ClNO3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,(H,23,26)
InChI Key:
VDCUNNJIPITONP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1
EC Number:
204-168-8
NSC Number:
13980
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.051g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.781g/mol
Monoisotopic Mass:
361.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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