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1707361-66-7 | 3-Chlorophenyl 3,3,3-trifluoropropyl sulfide
CAS No: 1707361-66-7 Catalog No: AG01FAR0 MDL No:MFCD26792619
Product Description
Catalog Number:
AG01FAR0
Chemical Name:
3-Chlorophenyl 3,3,3-trifluoropropyl sulfide
CAS Number:
1707361-66-7
Molecular Formula:
C9H8ClF3S
Molecular Weight:
240.6730
MDL Number:
MFCD26792619
IUPAC Name:
1-chloro-3-(3,3,3-trifluoropropylsulfanyl)benzene
InChI:
InChI=1S/C9H8ClF3S/c10-7-2-1-3-8(6-7)14-5-4-9(11,12)13/h1-3,6H,4-5H2
InChI Key:
STNDFMAVEDRELC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)SCCC(F)(F)F
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.668g/mol
Monoisotopic Mass:
239.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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