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76653-15-1 | 2-(4-methoxyphenyl)ethane-1-sulfonamide
CAS No: 76653-15-1 Catalog No: AG01AFX7 MDL No:MFCD21235725
Product Description
Catalog Number:
AG01AFX7
Chemical Name:
2-(4-methoxyphenyl)ethane-1-sulfonamide
CAS Number:
76653-15-1
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
MDL Number:
MFCD21235725
IUPAC Name:
2-(4-methoxyphenyl)ethanesulfonamide
InChI:
InChI=1S/C9H13NO3S/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
InChI Key:
RRJBARRRFGZDIX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCS(=O)(=O)N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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