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Home > Nitro Compounds > 88220-58-0
88220-58-0 | 2-Benzofurancarbonitrile, 5-methoxy-4-nitro-
CAS No: 88220-58-0 Catalog No: AG004BAP MDL No:
Product Description
Catalog Number:
AG004BAP
Chemical Name:
2-Benzofurancarbonitrile, 5-methoxy-4-nitro-
CAS Number:
88220-58-0
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
5-methoxy-4-nitro-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C10H6N2O4/c1-15-9-3-2-8-7(10(9)12(13)14)4-6(5-11)16-8/h2-4H,1H3
InChI Key:
DRHQNPWYNNQQJN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])cc(o2)C#N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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