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1644-72-0 | Benzene, 1-bromo-2-[(trifluoromethyl)thio]-
CAS No: 1644-72-0 Catalog No: AG001UW0 MDL No:MFCD00236347
Product Description
Catalog Number:
AG001UW0
Chemical Name:
Benzene, 1-bromo-2-[(trifluoromethyl)thio]-
CAS Number:
1644-72-0
Molecular Formula:
C7H4BrF3S
Molecular Weight:
257.0709
MDL Number:
MFCD00236347
IUPAC Name:
1-bromo-2-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C7H4BrF3S/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChI Key:
IWRJVJJQWGZKMT-UHFFFAOYSA-N
SMILES:
Brc1ccccc1SC(F)(F)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.917g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.068g/mol
Monoisotopic Mass:
255.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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