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42060-28-6 | N-[(4-methylphenyl)methyl]methanesulfonamide
CAS No: 42060-28-6 Catalog No: AG00IXZQ MDL No:MFCD01213927
Product Description
Catalog Number:
AG00IXZQ
Chemical Name:
N-[(4-methylphenyl)methyl]methanesulfonamide
CAS Number:
42060-28-6
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD01213927
IUPAC Name:
N-[(4-methylphenyl)methyl]methanesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-8-3-5-9(6-4-8)7-10-13(2,11)12/h3-6,10H,7H2,1-2H3
InChI Key:
SHVDFMIJUDOASZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNS(=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:
1.2
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