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Home > Nitro Compounds > 886502-63-2
886502-63-2 | 1-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethan-1-one
CAS No: 886502-63-2 Catalog No: AG013EXU MDL No:MFCD06739694
Product Description
Catalog Number:
AG013EXU
Chemical Name:
1-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethan-1-one
CAS Number:
886502-63-2
Molecular Formula:
C13H11NO5
Molecular Weight:
261.2301
MDL Number:
MFCD06739694
IUPAC Name:
1-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]ethanone
InChI:
InChI=1S/C13H11NO5/c1-8(15)11-5-6-12(19-11)10-4-3-9(14(16)17)7-13(10)18-2/h3-7H,1-2H3
InChI Key:
REAIQYXRHXFAII-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1ccc(o1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.233g/mol
Monoisotopic Mass:
261.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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