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88268-82-0 | Benzene, 1-chloro-3-[2-(methylthio)ethenyl]-
CAS No: 88268-82-0 Catalog No: AG004AA9 MDL No:
Product Description
Catalog Number:
AG004AA9
Chemical Name:
Benzene, 1-chloro-3-[2-(methylthio)ethenyl]-
CAS Number:
88268-82-0
Molecular Formula:
C9H9ClS
Molecular Weight:
184.6858
IUPAC Name:
1-chloro-3-(2-methylsulfanylethenyl)benzene
InChI:
InChI=1S/C9H9ClS/c1-11-6-5-8-3-2-4-9(10)7-8/h2-7H,1H3
InChI Key:
PESLGARRXOFJRU-UHFFFAOYSA-N
SMILES:
CSC=Cc1cccc(c1)Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.681g/mol
Monoisotopic Mass:
184.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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