Benzenemethanol, 3-bromo-5-(trifluoromethyl)-


Chemical Name: Benzenemethanol, 3-bromo-5-(trifluoromethyl)-
CAS Number: 172023-97-1
Product Number: AG00AC3L(AGN-PC-05IUFF)
Synonyms:
MDL No:
Molecular Formula: C8H6BrF3O
Molecular Weight: 255.0318

Identification/Properties


Computed Properties
Molecular Weight:
255.034g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
253.955g/mol
Monoisotopic Mass:
253.955g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
171
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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