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Home > Nitro Compounds > 88220-57-9
88220-57-9 | 2-Benzofurancarbonitrile, 4-methoxy-7-nitro-
CAS No: 88220-57-9 Catalog No: AG004BON MDL No:
Product Description
Catalog Number:
AG004BON
Chemical Name:
2-Benzofurancarbonitrile, 4-methoxy-7-nitro-
CAS Number:
88220-57-9
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
4-methoxy-7-nitro-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C10H6N2O4/c1-15-9-3-2-8(12(13)14)10-7(9)4-6(5-11)16-10/h2-4H,1H3
InChI Key:
OIYZUFZGUWCXSV-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(o1)c(ccc2OC)[N+](=O)[O-]
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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