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300356-31-4 | 4-Bromo-1-(methylthio)-2-(trifluoromethyl)-benzene
CAS No: 300356-31-4 Catalog No: AG00BJ3M MDL No:MFCD15527239
Product Description
Catalog Number:
AG00BJ3M
Chemical Name:
4-Bromo-1-(methylthio)-2-(trifluoromethyl)-benzene
CAS Number:
300356-31-4
Molecular Formula:
C8H6BrF3S
Molecular Weight:
271.0974
MDL Number:
MFCD15527239
IUPAC Name:
4-bromo-1-methylsulfanyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3S/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3
InChI Key:
KMADDVSNZFTXEC-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1C(F)(F)F)Br
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.933g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.095g/mol
Monoisotopic Mass:
269.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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