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1019594-39-8 | Benzenamine, N-ethyl-4-(methylsulfonyl)-
CAS No: 1019594-39-8 Catalog No: AG00062W MDL No:MFCD11143925
Product Description
Catalog Number:
AG00062W
Chemical Name:
Benzenamine, N-ethyl-4-(methylsulfonyl)-
CAS Number:
1019594-39-8
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD11143925
IUPAC Name:
N-ethyl-4-methylsulfonylaniline
InChI:
InChI=1S/C9H13NO2S/c1-3-10-8-4-6-9(7-5-8)13(2,11)12/h4-7,10H,3H2,1-2H3
InChI Key:
JVPDEOZALUGZHG-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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