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116109-54-7 | Benzene, [(chlorofluoromethyl)thio]-
CAS No: 116109-54-7 Catalog No: AG000BNF MDL No:MFCD20623383
Product Description
Catalog Number:
AG000BNF
Chemical Name:
Benzene, [(chlorofluoromethyl)thio]-
CAS Number:
116109-54-7
Molecular Formula:
C7H6ClFS
Molecular Weight:
176.6389
MDL Number:
MFCD20623383
IUPAC Name:
[chloro(fluoro)methyl]sulfanylbenzene
InChI:
InChI=1S/C7H6ClFS/c8-7(9)10-6-4-2-1-3-5-6/h1-5,7H
InChI Key:
FUNDMPQUJWDBIZ-UHFFFAOYSA-N
SMILES:
FC(Sc1ccccc1)Cl
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.633g/mol
Monoisotopic Mass:
175.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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