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2402-72-4 | 2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
CAS No: 2402-72-4 Catalog No: AG003A6P MDL No:
Product Description
Catalog Number:
AG003A6P
Chemical Name:
2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
CAS Number:
2402-72-4
Molecular Formula:
C9H5BrF6O
Molecular Weight:
323.0298
IUPAC Name:
2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
InChI:
InChI=1S/C9H5BrF6O/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChI Key:
PRQQUQLCNCIJTF-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.943g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.032g/mol
Monoisotopic Mass:
321.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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