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88388-96-9 | Benzene, 1-methyl-4-[(1,2,2,2-tetrachloroethyl)thio]-
CAS No: 88388-96-9 Catalog No: AG004FE2 MDL No:
Product Description
Catalog Number:
AG004FE2
Chemical Name:
Benzene, 1-methyl-4-[(1,2,2,2-tetrachloroethyl)thio]-
CAS Number:
88388-96-9
Molecular Formula:
C9H8Cl4S
Molecular Weight:
290.0368
IUPAC Name:
1-methyl-4-(1,2,2,2-tetrachloroethylsulfanyl)benzene
InChI:
InChI=1S/C9H8Cl4S/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5,8H,1H3
InChI Key:
XNROVPCPGCWSJP-UHFFFAOYSA-N
SMILES:
ClC(C(Cl)(Cl)Cl)Sc1ccc(cc1)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.907g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.023g/mol
Monoisotopic Mass:
287.91g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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