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Home > Nitro Compounds > 88220-59-1
88220-59-1 | 2-Benzofurancarbonitrile, 5-methoxy-6-nitro-
CAS No: 88220-59-1 Catalog No: AG004BAO MDL No:
Product Description
Catalog Number:
AG004BAO
Chemical Name:
2-Benzofurancarbonitrile, 5-methoxy-6-nitro-
CAS Number:
88220-59-1
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
IUPAC Name:
5-methoxy-6-nitro-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C10H6N2O4/c1-15-10-3-6-2-7(5-11)16-9(6)4-8(10)12(13)14/h2-4H,1H3
InChI Key:
BLBZABWZUMYCBH-UHFFFAOYSA-N
SMILES:
N#Cc1oc2c(c1)cc(c(c2)[N+](=O)[O-])OC
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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