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85554-53-6 | Benzene, [(chlorodifluoromethyl)thio]-
CAS No: 85554-53-6 Catalog No: AG004R2Q MDL No:
Product Description
Catalog Number:
AG004R2Q
Chemical Name:
Benzene, [(chlorodifluoromethyl)thio]-
CAS Number:
85554-53-6
Molecular Formula:
C7H5ClF2S
Molecular Weight:
194.6294
IUPAC Name:
[chloro(difluoro)methyl]sulfanylbenzene
InChI:
InChI=1S/C7H5ClF2S/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChI Key:
HDDIMFWDRZTORI-UHFFFAOYSA-N
SMILES:
FC(Sc1ccccc1)(Cl)F
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.977g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.624g/mol
Monoisotopic Mass:
193.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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