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920504-10-5 | Benzene, 1,2-diiodo-4-nitro-5-propoxy-
CAS No: 920504-10-5 Catalog No: AG006EDE MDL No:
Product Description
Catalog Number:
AG006EDE
Chemical Name:
Benzene, 1,2-diiodo-4-nitro-5-propoxy-
CAS Number:
920504-10-5
Molecular Formula:
C9H9I2NO3
Molecular Weight:
432.9816
IUPAC Name:
1,2-diiodo-4-nitro-5-propoxybenzene
InChI:
InChI=1S/C9H9I2NO3/c1-2-3-15-9-5-7(11)6(10)4-8(9)12(13)14/h4-5H,2-3H2,1H3
InChI Key:
CQXINUDRNCUMJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(I)c(cc1OCCC)I
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.867g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.984g/mol
Monoisotopic Mass:
432.867g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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