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1016509-13-9 | Benzenemethanamine, 3-(methylsulfonyl)-α-phenyl-
CAS No: 1016509-13-9 Catalog No: AG00051S MDL No:MFCD09817373
Product Description
Catalog Number:
AG00051S
Chemical Name:
Benzenemethanamine, 3-(methylsulfonyl)-α-phenyl-
CAS Number:
1016509-13-9
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD09817373
IUPAC Name:
(3-methylsulfonylphenyl)-phenylmethanamine
InChI:
InChI=1S/C14H15NO2S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10,14H,15H2,1H3
InChI Key:
KTCYDOZUYHQARX-UHFFFAOYSA-N
SMILES:
NC(c1cccc(c1)S(=O)(=O)C)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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