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102226-79-9 | Benzene, 4-[(2-chloroethyl)thio]-1,2-dimethoxy-
CAS No: 102226-79-9 Catalog No: AG0006ZI MDL No:
Product Description
Catalog Number:
AG0006ZI
Chemical Name:
Benzene, 4-[(2-chloroethyl)thio]-1,2-dimethoxy-
CAS Number:
102226-79-9
Molecular Formula:
C10H13ClO2S
Molecular Weight:
232.7270
IUPAC Name:
4-(2-chloroethylsulfanyl)-1,2-dimethoxybenzene
InChI:
InChI=1S/C10H13ClO2S/c1-12-9-4-3-8(14-6-5-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3
InChI Key:
OELHAIISXBIGQO-UHFFFAOYSA-N
SMILES:
ClCCSc1ccc(c(c1)OC)OC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.722g/mol
Monoisotopic Mass:
232.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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