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20761-70-0 | Benzene, 1-[(2-chloroethyl)thio]-4-methoxy-
CAS No: 20761-70-0 Catalog No: AG002J64 MDL No:
Product Description
Catalog Number:
AG002J64
Chemical Name:
Benzene, 1-[(2-chloroethyl)thio]-4-methoxy-
CAS Number:
20761-70-0
Molecular Formula:
C9H11ClOS
Molecular Weight:
202.7010
IUPAC Name:
1-(2-chloroethylsulfanyl)-4-methoxybenzene
InChI:
InChI=1S/C9H11ClOS/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3
InChI Key:
BWMQHZWEGBXWNV-UHFFFAOYSA-N
SMILES:
ClCCSc1ccc(cc1)OC
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.696g/mol
Monoisotopic Mass:
202.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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