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1187437-00-8 | 3-tert-Butyl benzenesulfonamide
CAS No: 1187437-00-8 Catalog No: AG01FETS MDL No:MFCD12922947
Product Description
Catalog Number:
AG01FETS
Chemical Name:
3-tert-Butyl benzenesulfonamide
CAS Number:
1187437-00-8
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD12922947
IUPAC Name:
3-tert-butylbenzenesulfonamide
InChI:
InChI=1S/C10H15NO2S/c1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChI Key:
JACGHULSRUWRBD-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)S(=O)(=O)N)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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