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496801-28-6 | 3,5-diiodo-4-methoxyaniline
CAS No: 496801-28-6 Catalog No: AG01DWG5 MDL No:MFCD25963760
Product Description
Catalog Number:
AG01DWG5
Chemical Name:
3,5-diiodo-4-methoxyaniline
CAS Number:
496801-28-6
Molecular Formula:
C7H7I2NO
Molecular Weight:
374.9455
MDL Number:
MFCD25963760
IUPAC Name:
3,5-diiodo-4-methoxyaniline
InChI:
InChI=1S/C7H7I2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChI Key:
HSUJYIOBQDIMPP-UHFFFAOYSA-N
SMILES:
COc1c(I)cc(cc1I)N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.862g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.948g/mol
Monoisotopic Mass:
374.862g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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