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951884-71-2 | (2-Bromo-4-(trifluoromethoxy)phenyl)(methyl)sulfane
CAS No: 951884-71-2 Catalog No: AG003GP1 MDL No:MFCD09801038
Product Description
Catalog Number:
AG003GP1
Chemical Name:
(2-Bromo-4-(trifluoromethoxy)phenyl)(methyl)sulfane
CAS Number:
951884-71-2
Molecular Formula:
C8H6BrF3OS
Molecular Weight:
287.0968
MDL Number:
MFCD09801038
IUPAC Name:
2-bromo-1-methylsulfanyl-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3OS/c1-14-7-3-2-5(4-6(7)9)13-8(10,11)12/h2-4H,1H3
InChI Key:
QCIMZFYEUFLMBB-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.927g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.094g/mol
Monoisotopic Mass:
285.927g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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