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111758-62-4 | N-(prop-2-yn-1-yl)naphthalene-2-sulfonamide
CAS No: 111758-62-4 Catalog No: AG00IXDE MDL No:MFCD01567653
Product Description
Catalog Number:
AG00IXDE
Chemical Name:
N-(prop-2-yn-1-yl)naphthalene-2-sulfonamide
CAS Number:
111758-62-4
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD01567653
IUPAC Name:
N-prop-2-ynylnaphthalene-2-sulfonamide
InChI:
InChI=1S/C13H11NO2S/c1-2-9-14-17(15,16)13-8-7-11-5-3-4-6-12(11)10-13/h1,3-8,10,14H,9H2
InChI Key:
LMNMTWYMLFANQJ-UHFFFAOYSA-N
SMILES:
C#CCNS(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/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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