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Home > Bromides > 1221658-68-9
1221658-68-9 | Benzene, 1-bromo-3-(phenylmethoxy)-5-(trifluoromethoxy)-
CAS No: 1221658-68-9 Catalog No: AG0016VE MDL No:MFCD16036126
Product Description
Catalog Number:
AG0016VE
Chemical Name:
Benzene, 1-bromo-3-(phenylmethoxy)-5-(trifluoromethoxy)-
CAS Number:
1221658-68-9
Molecular Formula:
C14H10BrF3O2
Molecular Weight:
347.1272
MDL Number:
MFCD16036126
IUPAC Name:
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
InChI:
InChI=1S/C14H10BrF3O2/c15-11-6-12(8-13(7-11)20-14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
ZVKREHXYXUPPEJ-UHFFFAOYSA-N
SMILES:
Brc1cc(OCc2ccccc2)cc(c1)OC(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.982g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.131g/mol
Monoisotopic Mass:
345.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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