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773045-56-0 | Benzenemethanamine, 2-(ethylsulfonyl)-
CAS No: 773045-56-0 Catalog No: AG0054RT MDL No:
Product Description
Catalog Number:
AG0054RT
Chemical Name:
Benzenemethanamine, 2-(ethylsulfonyl)-
CAS Number:
773045-56-0
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
IUPAC Name:
(2-ethylsulfonylphenyl)methanamine
InChI:
InChI=1S/C9H13NO2S/c1-2-13(11,12)9-6-4-3-5-8(9)7-10/h3-6H,2,7,10H2,1H3
InChI Key:
LGCIHLZCHAUXLI-UHFFFAOYSA-N
SMILES:
NCc1ccccc1S(=O)(=O)CC
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:
0.4
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