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1011531-67-1 | Benzenemethanol, 4-bromo-3-(trifluoromethoxy)-
CAS No: 1011531-67-1 Catalog No: AG0003UQ MDL No:
Product Description
Catalog Number:
AG0003UQ
Chemical Name:
Benzenemethanol, 4-bromo-3-(trifluoromethoxy)-
CAS Number:
1011531-67-1
Molecular Formula:
C8H6BrF3O2
Molecular Weight:
271.0312
IUPAC Name:
[4-bromo-3-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H6BrF3O2/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3,13H,4H2
InChI Key:
XJLFCAKHKBPVGV-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)OC(F)(F)F)Br
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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