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139769-14-5 | [1,1'-Biphenyl]-2-amine, 4'-(methylsulfonyl)-, hydrochloride (1:1)
CAS No: 139769-14-5 Catalog No: AG001BOD MDL No:
Product Description
Catalog Number:
AG001BOD
Chemical Name:
[1,1'-Biphenyl]-2-amine, 4'-(methylsulfonyl)-, hydrochloride (1:1)
CAS Number:
139769-14-5
Molecular Formula:
C13H14ClNO2S
Molecular Weight:
283.7738
IUPAC Name:
2-(4-methylsulfonylphenyl)aniline;hydrochloride
InChI:
InChI=1S/C13H13NO2S.ClH/c1-17(15,16)11-8-6-10(7-9-11)12-4-2-3-5-13(12)14;/h2-9H,14H2,1H3;1H
InChI Key:
SFZTVETVOLHDJN-UHFFFAOYSA-N
SMILES:
Nc1ccccc1c1ccc(cc1)S(=O)(=O)C.Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.77g/mol
Monoisotopic Mass:
283.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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