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50824-05-0 | 4-(Trifluoromethoxy)benzyl bromide
CAS No: 50824-05-0 Catalog No: AG0033U1 MDL No:MFCD00061238
Product Description
Catalog Number:
AG0033U1
Chemical Name:
4-(Trifluoromethoxy)benzyl bromide
CAS Number:
50824-05-0
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD00061238
IUPAC Name:
1-(bromomethyl)-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChI Key:
JDNPUJCKXLOHOW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)OC(F)(F)F
Properties
Complexity:
152
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:
0
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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