Home Halogens 7-chloro-3-methyl-1lambda6-benzothiophene-1,1-dione

7-chloro-3-methyl-1lambda6-benzothiophene-1,1-dione

CAS No.:
17514-69-1
Catalog Number:
AG01A2FP
Molecular Formula:
C9H7ClO2S
Molecular Weight:
214.6687
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Product Description
Catalog Number:
AG01A2FP
Chemical Name:
7-chloro-3-methyl-1lambda6-benzothiophene-1,1-dione
CAS Number:
17514-69-1
Molecular Formula:
C9H7ClO2S
Molecular Weight:
214.6687
MDL Number:
MFCD22578564
IUPAC Name:
7-chloro-3-methyl-1-benzothiophene 1,1-dioxide
InChI:
InChI=1S/C9H7ClO2S/c1-6-5-13(11,12)9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChI Key:
RVXUOIAUUUPODW-UHFFFAOYSA-N
SMILES:
CC1=CS(=O)(=O)c2c1cccc2Cl
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.986g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.663g/mol
Monoisotopic Mass:
213.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties