Home Halogens Benzenesulfinic acid,4-chloro-, ethyl ester

Benzenesulfinic acid,4-chloro-, ethyl ester

CAS No.:
13165-81-6
Catalog Number:
AG0080JG
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
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Product Description
Catalog Number:
AG0080JG
Chemical Name:
Benzenesulfinic acid,4-chloro-, ethyl ester
CAS Number:
13165-81-6
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
MDL Number:
MFCD08460264
IUPAC Name:
ethyl 4-chlorobenzenesulfinate
InChI:
InChI=1S/C8H9ClO2S/c1-2-11-12(10)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChI Key:
ARAFKHFXHSVTEI-UHFFFAOYSA-N
SMILES:
CCOS(=O)c1ccc(cc1)Cl
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties