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102688-06-2 | Benzene, [(1-chloro-2,2-difluoroethenyl)thio]-
CAS No: 102688-06-2 Catalog No: AG00084Z MDL No:
Product Description
Catalog Number:
AG00084Z
Chemical Name:
Benzene, [(1-chloro-2,2-difluoroethenyl)thio]-
CAS Number:
102688-06-2
Molecular Formula:
C8H5ClF2S
Molecular Weight:
206.6401
IUPAC Name:
(1-chloro-2,2-difluoroethenyl)sulfanylbenzene
InChI:
InChI=1S/C8H5ClF2S/c9-7(8(10)11)12-6-4-2-1-3-5-6/h1-5H
InChI Key:
UGACTEHDKZLECK-UHFFFAOYSA-N
SMILES:
ClC(=C(F)F)Sc1ccccc1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.977g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.635g/mol
Monoisotopic Mass:
205.977g/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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