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147917-81-5 | Benzene, 1-chloro-2-[(chloromethyl)thio]-
CAS No: 147917-81-5 Catalog No: AG001FAW MDL No:
Product Description
Catalog Number:
AG001FAW
Chemical Name:
Benzene, 1-chloro-2-[(chloromethyl)thio]-
CAS Number:
147917-81-5
Molecular Formula:
C7H6Cl2S
Molecular Weight:
193.0935
IUPAC Name:
1-chloro-2-(chloromethylsulfanyl)benzene
InChI:
InChI=1S/C7H6Cl2S/c8-5-10-7-4-2-1-3-6(7)9/h1-4H,5H2
InChI Key:
RIVLOEMFLVCCFE-UHFFFAOYSA-N
SMILES:
ClCSc1ccccc1Cl
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.957g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.085g/mol
Monoisotopic Mass:
191.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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