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583837-94-9 | [4-(Ethanesulphonyl)phenyl]methanamine
CAS No: 583837-94-9 Catalog No: AG0032I2 MDL No:MFCD10032480
Product Description
Catalog Number:
AG0032I2
Chemical Name:
[4-(Ethanesulphonyl)phenyl]methanamine
CAS Number:
583837-94-9
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD10032480
IUPAC Name:
(4-ethylsulfonylphenyl)methanamine
InChI:
InChI=1S/C9H13NO2S/c1-2-13(11,12)9-5-3-8(7-10)4-6-9/h3-6H,2,7,10H2,1H3
InChI Key:
SLAFBMBRXKFTDS-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)S(=O)(=O)CC
Properties
Complexity:
235
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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