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Home > Nitro Compounds > 886493-85-2
886493-85-2 | (4,5-Dimethoxy-2-nitro-phenyl)-furan-2-yl-methanone
CAS No: 886493-85-2 Catalog No: AG01EY8P MDL No:
Product Description
Catalog Number:
AG01EY8P
Chemical Name:
(4,5-Dimethoxy-2-nitro-phenyl)-furan-2-yl-methanone
CAS Number:
886493-85-2
Molecular Formula:
C13H11NO6
Molecular Weight:
277.2295
IUPAC Name:
(4,5-dimethoxy-2-nitrophenyl)-(furan-2-yl)methanone
InChI:
InChI=1S/C13H11NO6/c1-18-11-6-8(13(15)10-4-3-5-20-10)9(14(16)17)7-12(11)19-2/h3-7H,1-2H3
InChI Key:
RICFDSNXGAVIQE-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)c2ccco2)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.232g/mol
Monoisotopic Mass:
277.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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