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116529-49-8 | 2,4-diiodo-6-nitroaniline
CAS No: 116529-49-8 Catalog No: AG019X8E MDL No:MFCD03931845
Product Description
Catalog Number:
AG019X8E
Chemical Name:
2,4-diiodo-6-nitroaniline
CAS Number:
116529-49-8
Molecular Formula:
C6H4I2N2O2
Molecular Weight:
389.9171
MDL Number:
MFCD03931845
IUPAC Name:
2,4-diiodo-6-nitroaniline
InChI:
InChI=1S/C6H4I2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
InChI Key:
MVWFXGGTHGLHSU-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c(c(c1)[N+](=O)[O-])N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.836g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.919g/mol
Monoisotopic Mass:
389.836g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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