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21101-63-3 | Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)thio]-
CAS No: 21101-63-3 Catalog No: AG002L41 MDL No:MFCD00129189
Product Description
Catalog Number:
AG002L41
Chemical Name:
Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)thio]-
CAS Number:
21101-63-3
Molecular Formula:
C8H6BrF3S
Molecular Weight:
271.0974
MDL Number:
MFCD00129189
IUPAC Name:
1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C8H6BrF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChI Key:
VAYGJBCOCRVROJ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
152
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:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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