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81-44-7 | Benzamide,N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS No: 81-44-7 Catalog No: AG005KJZ MDL No:
Product Description
Catalog Number:
AG005KJZ
Chemical Name:
Benzamide,N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS Number:
81-44-7
Molecular Formula:
C21H12BrNO3
Molecular Weight:
406.2289
IUPAC Name:
N-(4-bromo-9,10-dioxoanthracen-1-yl)benzamide
InChI:
InChI=1S/C21H12BrNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)
InChI Key:
JKRCBOYQTINLRS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Br
EC Number:
201-349-3
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.235g/mol
Monoisotopic Mass:
405g/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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