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23413-66-3 | Benzene, 1-chloro-2-[(methylsulfinyl)methyl]-
CAS No: 23413-66-3 Catalog No: AG002N67 MDL No:
Product Description
Catalog Number:
AG002N67
Chemical Name:
Benzene, 1-chloro-2-[(methylsulfinyl)methyl]-
CAS Number:
23413-66-3
Molecular Formula:
C8H9ClOS
Molecular Weight:
188.6745
IUPAC Name:
1-chloro-2-(methylsulfinylmethyl)benzene
InChI:
InChI=1S/C8H9ClOS/c1-11(10)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChI Key:
XGQNVMKZJNFYKP-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1ccccc1Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.669g/mol
Monoisotopic Mass:
188.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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