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1829-22-7 | 1,4-Benzenedicarboxylic acid, 2-iodo-
CAS No: 1829-22-7 Catalog No: AG00248B MDL No:
Product Description
Catalog Number:
AG00248B
Chemical Name:
1,4-Benzenedicarboxylic acid, 2-iodo-
CAS Number:
1829-22-7
Molecular Formula:
C8H5IO4
Molecular Weight:
292.0274
IUPAC Name:
2-iodoterephthalic acid
InChI:
InChI=1S/C8H5IO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
LUZKKRPROWYBLR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)I)C(=O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.028g/mol
Monoisotopic Mass:
291.923g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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