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Home > Nitro Compounds > 2315-80-2
2315-80-2 | Benzonitrile, 4-hydroxy-3,5-dinitro-
CAS No: 2315-80-2 Catalog No: AG002ME5 MDL No:
Product Description
Catalog Number:
AG002ME5
Chemical Name:
Benzonitrile, 4-hydroxy-3,5-dinitro-
CAS Number:
2315-80-2
Molecular Formula:
C7H3N3O5
Molecular Weight:
209.1158
IUPAC Name:
4-hydroxy-3,5-dinitrobenzonitrile
InChI:
InChI=1S/C7H3N3O5/c8-3-4-1-5(9(12)13)7(11)6(2-4)10(14)15/h1-2,11H
InChI Key:
CWBIIHJRFXQEKB-UHFFFAOYSA-N
SMILES:
N#Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.117g/mol
Monoisotopic Mass:
209.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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