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1247620-01-4 | 5-METHYLHEXANE-2-SULFONAMIDE
CAS No: 1247620-01-4 Catalog No: AG01BLZZ MDL No:MFCD16671986
Product Description
Catalog Number:
AG01BLZZ
Chemical Name:
5-METHYLHEXANE-2-SULFONAMIDE
CAS Number:
1247620-01-4
Molecular Formula:
C7H17NO2S
Molecular Weight:
179.2804
MDL Number:
MFCD16671986
IUPAC Name:
5-methylhexane-2-sulfonamide
InChI:
InChI=1S/C7H17NO2S/c1-6(2)4-5-7(3)11(8,9)10/h6-7H,4-5H2,1-3H3,(H2,8,9,10)
InChI Key:
YJUGNZVQEZBSAW-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)N)CCC(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.098g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.278g/mol
Monoisotopic Mass:
179.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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