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933705-18-1 | 2-[2-(Methylsulfonyl)phenyl]ethylamine
CAS No: 933705-18-1 Catalog No: AG003G8O MDL No:MFCD13190319
Product Description
Catalog Number:
AG003G8O
Chemical Name:
2-[2-(Methylsulfonyl)phenyl]ethylamine
CAS Number:
933705-18-1
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD13190319
IUPAC Name:
2-(2-methylsulfonylphenyl)ethanamine
InChI:
InChI=1S/C9H13NO2S/c1-13(11,12)9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
InChI Key:
KZCCTNYYIOIHOP-UHFFFAOYSA-N
SMILES:
NCCc1ccccc1S(=O)(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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