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192869-10-6 | Benzonitrile, 2-iodo-3,4-dimethoxy-6-nitro-
CAS No: 192869-10-6 Catalog No: AG002GE9 MDL No:MFCD13151970
Product Description
Catalog Number:
AG002GE9
Chemical Name:
Benzonitrile, 2-iodo-3,4-dimethoxy-6-nitro-
CAS Number:
192869-10-6
Molecular Formula:
C9H7IN2O4
Molecular Weight:
334.0674
MDL Number:
MFCD13151970
IUPAC Name:
2-iodo-3,4-dimethoxy-6-nitrobenzonitrile
InChI:
InChI=1S/C9H7IN2O4/c1-15-7-3-6(12(13)14)5(4-11)8(10)9(7)16-2/h3H,1-2H3
InChI Key:
ROAHGYIWORDPKO-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1OC)I)C#N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.945g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.069g/mol
Monoisotopic Mass:
333.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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