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178820-38-7 | 1,1'-Biphenyl, 4'-bromo-3,4,5-trifluoro-
CAS No: 178820-38-7 Catalog No: AG0026EA MDL No:MFCD07775626
Product Description
Catalog Number:
AG0026EA
Chemical Name:
1,1'-Biphenyl, 4'-bromo-3,4,5-trifluoro-
CAS Number:
178820-38-7
Molecular Formula:
C12H6BrF3
Molecular Weight:
287.0752
MDL Number:
MFCD07775626
IUPAC Name:
5-(4-bromophenyl)-1,2,3-trifluorobenzene
InChI:
InChI=1S/C12H6BrF3/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
InChI Key:
UUOZYACCZRHIJK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cc(F)c(c(c1)F)F
EC Number:
605-836-5
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.079g/mol
Monoisotopic Mass:
285.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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