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1805950-70-2 | Benzenemethanol, 3-bromo-2-(trifluoromethyl)-
CAS No: 1805950-70-2 Catalog No: AG00224S MDL No:MFCD28746751
Product Description
Catalog Number:
AG00224S
Chemical Name:
Benzenemethanol, 3-bromo-2-(trifluoromethyl)-
CAS Number:
1805950-70-2
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD28746751
IUPAC Name:
[3-bromo-2-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6BrF3O/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3,13H,4H2
InChI Key:
OTKXNJYBZMEIFT-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C(F)(F)F)Br
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/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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