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148960-51-4 | Benzenamine, 4-[2-(phenylsulfonyl)ethyl]-
CAS No: 148960-51-4 Catalog No: AG001LAK MDL No:MFCD12425602
Product Description
Catalog Number:
AG001LAK
Chemical Name:
Benzenamine, 4-[2-(phenylsulfonyl)ethyl]-
CAS Number:
148960-51-4
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD12425602
IUPAC Name:
4-[2-(benzenesulfonyl)ethyl]aniline
InChI:
InChI=1S/C14H15NO2S/c15-13-8-6-12(7-9-13)10-11-18(16,17)14-4-2-1-3-5-14/h1-9H,10-11,15H2
InChI Key:
GTOBMLOOZUMYGG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CCS(=O)(=O)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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