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27563-14-0 | Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS No: 27563-14-0 Catalog No: AG002U31 MDL No:
Product Description
Catalog Number:
AG002U31
Chemical Name:
Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
CAS Number:
27563-14-0
Molecular Formula:
C16H10BrNO3
Molecular Weight:
344.1595
IUPAC Name:
N-(4-bromo-9,10-dioxoanthracen-1-yl)acetamide
InChI:
InChI=1S/C16H10BrNO3/c1-8(19)18-12-7-6-11(17)13-14(12)16(21)10-5-3-2-4-9(10)15(13)20/h2-7H,1H3,(H,18,19)
InChI Key:
IEFIRFASAAHCOS-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Br
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.984g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.164g/mol
Monoisotopic Mass:
342.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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