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82679-28-5 | 4,5-DIIODO-PHTHALIC ACID
CAS No: 82679-28-5 Catalog No: AG0051YC MDL No:
Product Description
Catalog Number:
AG0051YC
Chemical Name:
4,5-DIIODO-PHTHALIC ACID
CAS Number:
82679-28-5
Molecular Formula:
C8H4I2O4
Molecular Weight:
417.9239
IUPAC Name:
4,5-diiodophthalic acid
InChI:
InChI=1S/C8H4I2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
InChI Key:
RWFDZJFUBBFWKQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(cc1C(=O)O)I
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.82g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
417.925g/mol
Monoisotopic Mass:
417.82g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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