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920504-15-0 | Benzene, 1,2-diiodo-4-(3-methylbutoxy)-5-nitro-
CAS No: 920504-15-0 Catalog No: AG00617T MDL No:
Product Description
Catalog Number:
AG00617T
Chemical Name:
Benzene, 1,2-diiodo-4-(3-methylbutoxy)-5-nitro-
CAS Number:
920504-15-0
Molecular Formula:
C11H13I2NO3
Molecular Weight:
461.0348
IUPAC Name:
1,2-diiodo-4-(3-methylbutoxy)-5-nitrobenzene
InChI:
InChI=1S/C11H13I2NO3/c1-7(2)3-4-17-11-6-9(13)8(12)5-10(11)14(15)16/h5-7H,3-4H2,1-2H3
InChI Key:
KVNJGXAFAUAFCZ-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(I)c(cc1[N+](=O)[O-])I)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.898g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.038g/mol
Monoisotopic Mass:
460.898g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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