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1221658-65-6 | Benzene, 1-bromo-3-butoxy-5-(trifluoromethoxy)-
CAS No: 1221658-65-6 Catalog No: AG0016VG MDL No:MFCD16036132
Product Description
Catalog Number:
AG0016VG
Chemical Name:
Benzene, 1-bromo-3-butoxy-5-(trifluoromethoxy)-
CAS Number:
1221658-65-6
Molecular Formula:
C11H12BrF3O2
Molecular Weight:
313.1110
MDL Number:
MFCD16036132
IUPAC Name:
1-bromo-3-butoxy-5-(trifluoromethoxy)benzene
InChI:
InChI=1S/C11H12BrF3O2/c1-2-3-4-16-9-5-8(12)6-10(7-9)17-11(13,14)15/h5-7H,2-4H2,1H3
InChI Key:
FXHJRXIZVGFAKX-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Br)cc(c1)OC(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.114g/mol
Monoisotopic Mass:
311.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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