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842-35-3 | 4-(benzyloxy)-3,5-diiodobenzoic acid
CAS No: 842-35-3 Catalog No: AG004XYA MDL No:
Product Description
Catalog Number:
AG004XYA
Chemical Name:
4-(benzyloxy)-3,5-diiodobenzoic acid
CAS Number:
842-35-3
Molecular Formula:
C14H10I2O3
Molecular Weight:
480.0363
IUPAC Name:
3,5-diiodo-4-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H10I2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18)
InChI Key:
DZTYFSSXRSWATG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(I)c(c(c1)I)OCc1ccccc1
NSC Number:
108772
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.872g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.04g/mol
Monoisotopic Mass:
479.872g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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