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89265-30-5 | Benzene, 1,2-dichloro-3-[(1,1-dimethylethyl)thio]-
CAS No: 89265-30-5 Catalog No: AG0041GG MDL No:
Product Description
Catalog Number:
AG0041GG
Chemical Name:
Benzene, 1,2-dichloro-3-[(1,1-dimethylethyl)thio]-
CAS Number:
89265-30-5
Molecular Formula:
C10H12Cl2S
Molecular Weight:
235.1733
IUPAC Name:
1-tert-butylsulfanyl-2,3-dichlorobenzene
InChI:
InChI=1S/C10H12Cl2S/c1-10(2,3)13-8-6-4-5-7(11)9(8)12/h4-6H,1-3H3
InChI Key:
CUXJYASSQLWTRA-UHFFFAOYSA-N
SMILES:
CC(Sc1cccc(c1Cl)Cl)(C)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.166g/mol
Monoisotopic Mass:
234.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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