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Home > Nitro Compounds > 23136-39-2
23136-39-2 | Ethanone, 1-(5-nitro-2-benzofuranyl)-
CAS No: 23136-39-2 Catalog No: AG002MBB MDL No:MFCD00051634
Product Description
Catalog Number:
AG002MBB
Chemical Name:
Ethanone, 1-(5-nitro-2-benzofuranyl)-
CAS Number:
23136-39-2
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
MDL Number:
MFCD00051634
IUPAC Name:
1-(5-nitro-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C10H7NO4/c1-6(12)10-5-7-4-8(11(13)14)2-3-9(7)15-10/h2-5H,1H3
InChI Key:
RMXFQPLULZFJMH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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