Home Sulfos 2-methanesulfonyl-3-methylaniline

2-methanesulfonyl-3-methylaniline

CAS No.:
497227-21-1
Catalog Number:
AG01C37G
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
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Product Description
Catalog Number:
AG01C37G
Chemical Name:
2-methanesulfonyl-3-methylaniline
CAS Number:
497227-21-1
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD24228656
IUPAC Name:
3-methyl-2-methylsulfonylaniline
InChI:
InChI=1S/C8H11NO2S/c1-6-4-3-5-7(9)8(6)12(2,10)11/h3-5H,9H2,1-2H3
InChI Key:
GXEXAPQBWDKEFE-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1S(=O)(=O)C)N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties