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87433-21-4 | Benzenesulfinamide, N-(3-methoxyphenyl)-4-methyl-
CAS No: 87433-21-4 Catalog No: AG004MDN MDL No:
Product Description
Catalog Number:
AG004MDN
Chemical Name:
Benzenesulfinamide, N-(3-methoxyphenyl)-4-methyl-
CAS Number:
87433-21-4
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
N-(3-methoxyphenyl)-4-methylbenzenesulfinamide
InChI:
InChI=1S/C14H15NO2S/c1-11-6-8-14(9-7-11)18(16)15-12-4-3-5-13(10-12)17-2/h3-10,15H,1-2H3
InChI Key:
BHZTWSDAUGRKSO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NS(=O)c1ccc(cc1)C
Properties
Complexity:
277
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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