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Home > Nitro Compounds > 93858-05-0
93858-05-0 | N,N'-(9,10-DIHYDRO-2-NITRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)BISACETAMIDE
CAS No: 93858-05-0 Catalog No: AG00H8KV MDL No:
Product Description
Catalog Number:
AG00H8KV
Chemical Name:
N,N'-(9,10-DIHYDRO-2-NITRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)BISACETAMIDE
CAS Number:
93858-05-0
Molecular Formula:
C18H13N3O6
Molecular Weight:
367.3123
IUPAC Name:
N-(4-acetamido-3-nitro-9,10-dioxoanthracen-1-yl)acetamide
InChI:
InChI=1S/C18H13N3O6/c1-8(22)19-12-7-13(21(26)27)16(20-9(2)23)15-14(12)17(24)10-5-3-4-6-11(10)18(15)25/h3-7H,1-2H3,(H,19,22)(H,20,23)
InChI Key:
PRXIYLQUHGYOSN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc([N+](=O)[O-])c(c2c1C(=O)c1ccccc1C2=O)NC(=O)C
EC Number:
299-240-9
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.08g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.317g/mol
Monoisotopic Mass:
367.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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