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1094735-99-5 | 4-butoxy-3-(propan-2-yl)benzene-1-sulfonamide
CAS No: 1094735-99-5 Catalog No: AG01BTLU MDL No:MFCD11213165
Product Description
Catalog Number:
AG01BTLU
Chemical Name:
4-butoxy-3-(propan-2-yl)benzene-1-sulfonamide
CAS Number:
1094735-99-5
Molecular Formula:
C13H21NO3S
Molecular Weight:
271.3757
MDL Number:
MFCD11213165
IUPAC Name:
4-butoxy-3-propan-2-ylbenzenesulfonamide
InChI:
InChI=1S/C13H21NO3S/c1-4-5-8-17-13-7-6-11(18(14,15)16)9-12(13)10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,14,15,16)
InChI Key:
NRHYJLNQYYFIJU-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C(C)C)S(=O)(=O)N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.124g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.375g/mol
Monoisotopic Mass:
271.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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