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113939-45-0 | Benzene, 1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-
CAS No: 113939-45-0 Catalog No: AG000A3M MDL No:
Product Description
Catalog Number:
AG000A3M
Chemical Name:
Benzene, 1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)-
CAS Number:
113939-45-0
Molecular Formula:
C8H4Br2F4O
Molecular Weight:
351.9184
IUPAC Name:
1-bromo-4-(2-bromo-1,1,2,2-tetrafluoroethoxy)benzene
InChI:
InChI=1S/C8H4Br2F4O/c9-5-1-3-6(4-2-5)15-8(13,14)7(10,11)12/h1-4H
InChI Key:
MHPXJSIMKFXETB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)OC(C(Br)(F)F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.854g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.921g/mol
Monoisotopic Mass:
349.857g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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