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53279-79-1 | 3,5-Diiodobenzyl alcohol
CAS No: 53279-79-1 Catalog No: AG00DBO6 MDL No:MFCD09743669
Product Description
Catalog Number:
AG00DBO6
Chemical Name:
3,5-Diiodobenzyl alcohol
CAS Number:
53279-79-1
Molecular Formula:
C7H6I2O
Molecular Weight:
359.9309
MDL Number:
MFCD09743669
IUPAC Name:
(3,5-diiodophenyl)methanol
InChI:
InChI=1S/C7H6I2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChI Key:
PNXHCRVWLIQVGW-UHFFFAOYSA-N
SMILES:
OCc1cc(I)cc(c1)I
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.851g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.933g/mol
Monoisotopic Mass:
359.851g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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