Home Other Building Blocks 1,2,3-trifluoro-5-(methylsulfanyl)benzene

1,2,3-trifluoro-5-(methylsulfanyl)benzene

CAS No.:
1314966-54-5
Catalog Number:
AG01DYNH
Molecular Formula:
C7H5F3S
Molecular Weight:
178.1748
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Product Description
Catalog Number:
AG01DYNH
Chemical Name:
1,2,3-trifluoro-5-(methylsulfanyl)benzene
CAS Number:
1314966-54-5
Molecular Formula:
C7H5F3S
Molecular Weight:
178.1748
MDL Number:
MFCD11617752
IUPAC Name:
1,2,3-trifluoro-5-methylsulfanylbenzene
InChI:
InChI=1S/C7H5F3S/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChI Key:
IWHGLLPBSQPTMK-UHFFFAOYSA-N
SMILES:
CSc1cc(F)c(c(c1)F)F
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.006g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.172g/mol
Monoisotopic Mass:
178.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties