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CAS No.:
597583-07-8
Catalog Number:
AG01DXCT
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01DXCT
CAS Number:
597583-07-8
MDL Number:
MFCD30576386
IUPAC Name:
4-[(3-propylimidazol-4-yl)methylsulfinyl]aniline
InChI:
InChI=1S/C13H17N3OS/c1-2-7-16-10-15-8-12(16)9-18(17)13-5-3-11(14)4-6-13/h3-6,8,10H,2,7,9,14H2,1H3
InChI Key:
QPYRLSBRGMJDHW-UHFFFAOYSA-N
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.109g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.359g/mol
Monoisotopic Mass:
263.109g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties