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26620-11-1 | Benzene, [[(1E)-2-chloroethenyl]thio]-
CAS No: 26620-11-1 Catalog No: AG002TUY MDL No:
Product Description
Catalog Number:
AG002TUY
Chemical Name:
Benzene, [[(1E)-2-chloroethenyl]thio]-
CAS Number:
26620-11-1
Molecular Formula:
C8H7ClS
Molecular Weight:
170.6592
IUPAC Name:
2-chloroethenylsulfanylbenzene
InChI:
InChI=1S/C8H7ClS/c9-6-7-10-8-4-2-1-3-5-8/h1-7H
InChI Key:
VFVNQEUFXKOCNW-UHFFFAOYSA-N
SMILES:
Cl/C=C/Sc1ccccc1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.654g/mol
Monoisotopic Mass:
169.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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