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1261682-35-2 | Benzenemethanol, 5-iodo-2-(trifluoromethyl)-
CAS No: 1261682-35-2 Catalog No: AG000RY7 MDL No:
Product Description
Catalog Number:
AG000RY7
Chemical Name:
Benzenemethanol, 5-iodo-2-(trifluoromethyl)-
CAS Number:
1261682-35-2
Molecular Formula:
C8H6F3IO
Molecular Weight:
302.0323
IUPAC Name:
[5-iodo-2-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6F3IO/c9-8(10,11)7-2-1-6(12)3-5(7)4-13/h1-3,13H,4H2
InChI Key:
FIBOOUCFALSAIR-UHFFFAOYSA-N
SMILES:
OCc1cc(I)ccc1C(F)(F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.942g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.035g/mol
Monoisotopic Mass:
301.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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