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Home > Nitro Compounds > 88220-73-9
88220-73-9 | 2-Benzofurancarbonitrile, 6-hydroxy-5-nitro-
CAS No: 88220-73-9 Catalog No: AG004BAL MDL No:
Product Description
Catalog Number:
AG004BAL
Chemical Name:
2-Benzofurancarbonitrile, 6-hydroxy-5-nitro-
CAS Number:
88220-73-9
Molecular Formula:
C9H4N2O4
Molecular Weight:
204.1391
IUPAC Name:
6-hydroxy-5-nitro-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C9H4N2O4/c10-4-6-1-5-2-7(11(13)14)8(12)3-9(5)15-6/h1-3,12H
InChI Key:
SIIDNKRQDZMLAN-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(o1)cc(c(c2)[N+](=O)[O-])O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.141g/mol
Monoisotopic Mass:
204.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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