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1026201-95-5 | Benzenemethanol, 3-bromo-5-(trifluoromethoxy)-
CAS No: 1026201-95-5 Catalog No: AG0007YD MDL No:MFCD09999512
Product Description
Catalog Number:
AG0007YD
Chemical Name:
Benzenemethanol, 3-bromo-5-(trifluoromethoxy)-
CAS Number:
1026201-95-5
Molecular Formula:
C8H6BrF3O2
Molecular Weight:
271.0312
MDL Number:
MFCD09999512
IUPAC Name:
[3-bromo-5-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H6BrF3O2/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3,13H,4H2
InChI Key:
CQQFETSXXFSLPO-UHFFFAOYSA-N
SMILES:
OCc1cc(cc(c1)Br)OC(F)(F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.95g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.033g/mol
Monoisotopic Mass:
269.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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