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13630-91-6 | N-(prop-2-yn-1-yl)benzenesulfonamide
CAS No: 13630-91-6 Catalog No: AG019X5A MDL No:MFCD00510807
Product Description
Catalog Number:
AG019X5A
Chemical Name:
N-(prop-2-yn-1-yl)benzenesulfonamide
CAS Number:
13630-91-6
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00510807
IUPAC Name:
N-prop-2-ynylbenzenesulfonamide
InChI:
InChI=1S/C9H9NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h1,3-7,10H,8H2
InChI Key:
UBKNDYQTOPYHPO-UHFFFAOYSA-N
SMILES:
C#CCNS(=O)(=O)c1ccccc1
Properties
Complexity:
287
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
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