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10254-89-4

10254-89-4 | Benzonitrile, 4-(4-morpholinylsulfonyl)-

CAS No: 10254-89-4 Catalog No: AG0007OE MDL No:MFCD00111187

Product Description

Catalog Number:
AG0007OE
Chemical Name:
Benzonitrile, 4-(4-morpholinylsulfonyl)-
CAS Number:
10254-89-4
Molecular Formula:
C11H12N2O3S
Molecular Weight:
252.2896
MDL Number:
MFCD00111187
IUPAC Name:
4-morpholin-4-ylsulfonylbenzonitrile
InChI:
InChI=1S/C11H12N2O3S/c12-9-10-1-3-11(4-2-10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-8H2
InChI Key:
CRMZHVBRNQNLLE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)N1CCOCC1

Properties

Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.288g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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