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261965-48-4 | Benzenamine, 4-[[(4-chloro-2,5-dimethylphenyl)sulfonyl]methyl]-
CAS No: 261965-48-4 Catalog No: AG002S7Q MDL No:MFCD00662634
Product Description
Catalog Number:
AG002S7Q
Chemical Name:
Benzenamine, 4-[[(4-chloro-2,5-dimethylphenyl)sulfonyl]methyl]-
CAS Number:
261965-48-4
Molecular Formula:
C15H16ClNO2S
Molecular Weight:
309.8110
MDL Number:
MFCD00662634
IUPAC Name:
4-[(4-chloro-2,5-dimethylphenyl)sulfonylmethyl]aniline
InChI:
InChI=1S/C15H16ClNO2S/c1-10-8-15(11(2)7-14(10)16)20(18,19)9-12-3-5-13(17)6-4-12/h3-8H,9,17H2,1-2H3
InChI Key:
RFGXQZBPWAITDJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CS(=O)(=O)c1cc(C)c(cc1C)Cl
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.808g/mol
Monoisotopic Mass:
309.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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