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53207-29-7 | 4-IODO-2-METHYLBENZYL ALCOHOL
CAS No: 53207-29-7 Catalog No: AG00DYYY MDL No:MFCD00046636
Product Description
Catalog Number:
AG00DYYY
Chemical Name:
4-IODO-2-METHYLBENZYL ALCOHOL
CAS Number:
53207-29-7
Molecular Formula:
C8H9IO
Molecular Weight:
248.0609
MDL Number:
MFCD00046636
IUPAC Name:
1-(4-iodophenyl)ethanol
InChI:
InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChI Key:
KWUDBZIJCVKUHM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)I)O
Properties
Complexity:
97.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.063g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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