Home Sulfos 2-ethoxy-4-(methylsulfonyl)aniline

2-ethoxy-4-(methylsulfonyl)aniline

CAS No.:
1340042-17-2
Catalog Number:
AG01DYNZ
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
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Product Description
Catalog Number:
AG01DYNZ
Chemical Name:
2-ethoxy-4-(methylsulfonyl)aniline
CAS Number:
1340042-17-2
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
MDL Number:
MFCD18861010
IUPAC Name:
2-ethoxy-4-methylsulfonylaniline
InChI:
InChI=1S/C9H13NO3S/c1-3-13-9-6-7(14(2,11)12)4-5-8(9)10/h4-6H,3,10H2,1-2H3
InChI Key:
QNCNXWQZWDDPSH-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1N)S(=O)(=O)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties