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111448-81-8 | N-(4-ethynylphenyl)methanesulfonamide
CAS No: 111448-81-8 Catalog No: AG00IO3Z MDL No:MFCD03012027
Product Description
Catalog Number:
AG00IO3Z
Chemical Name:
N-(4-ethynylphenyl)methanesulfonamide
CAS Number:
111448-81-8
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD03012027
IUPAC Name:
N-(4-ethynylphenyl)methanesulfonamide
InChI:
InChI=1S/C9H9NO2S/c1-3-8-4-6-9(7-5-8)10-13(2,11)12/h1,4-7,10H,2H3
InChI Key:
UCHWGULVMAZIMT-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)NS(=O)(=O)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/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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