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3-Chlorophenylmethylsulfoxide

CAT: 0127-OR957025Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR957025Size:1 g
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CAS Number
13150-73-7
MDL Number
MFCD18785701
Purity
95%
Smiles
CS(=O)c1cccc(Cl)c1

Chemical Information

1-Chloro-3-(methanesulfinyl)benzene
CAS Number13150-73-7
PubChem CID14089755
IUPAC Name1-chloro-3-methylsulfinylbenzene
Molecular FormulaC7H7ClOS
Molecular Weight174.65
XLogP1.7
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity138
SMILES
CS(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C7H7ClOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
FTZNJCGVVUVWFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3-(methanesulfinyl)benzene
CAS: 13150-73-7
CID: 14089755
Formula: C7H7ClOS
MW: 174.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.65
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass173.9906137
Monoisotopic Mass173.9906137
Topological Polar Surface Area36.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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