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13244-57-0 | 4'-(Methylsulfonyl)[1,1'-biphenyl]-4-amine
CAS No: 13244-57-0 Catalog No: AG01FB85 MDL No:
Product Description
Catalog Number:
AG01FB85
Chemical Name:
4'-(Methylsulfonyl)[1,1'-biphenyl]-4-amine
CAS Number:
13244-57-0
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
4-(4-methylsulfonylphenyl)aniline
InChI:
InChI=1S/C13H13NO2S/c1-17(15,16)13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,14H2,1H3
InChI Key:
JLBLMOQFRMMTAR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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