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19094-48-5 | Benzoic acid, 3,5-diiodo-
CAS No: 19094-48-5 Catalog No: AG002EXI MDL No:MFCD00463860
Product Description
Catalog Number:
AG002EXI
Chemical Name:
Benzoic acid, 3,5-diiodo-
CAS Number:
19094-48-5
Molecular Formula:
C7H4I2O2
Molecular Weight:
373.9144
MDL Number:
MFCD00463860
IUPAC Name:
3,5-diiodobenzoic acid
InChI:
InChI=1S/C7H4I2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key:
FHTJRJBWLBXVPO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)cc(c1)I
NSC Number:
149429
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.83g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.916g/mol
Monoisotopic Mass:
373.83g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and ring size effect of macrocyclic ethynylhelicene oligomers. | The Journal of organic chemistry 20060120 |
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