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10254-89-4,MFCD00111187
Catalog No.:AA0007LM
10254-89-4 | 4-(Morpholin-4-ylsulfonyl)benzonitrile
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250mg
95.0%
3 weeks  
$187.00   $131.00
- +
500mg
95.0%
3 weeks  
$287.00   $201.00
- +
1g
95.0%
3 weeks  
$403.00   $282.00
- +
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Technical Information
Catalog Number:
AA0007LM
Chemical Name:
4-(Morpholin-4-ylsulfonyl)benzonitrile
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
Computed 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  

Synonyms
 
4-(morpholinosulfonyl)benzonitrile 
10254-89-4 
4-(morpholinosulfonyl)-benzonitrile 
ZINC6863170 
4-morpholin-4-ylsulfonylbenzonitrile 
AKOS000198312 
MCULE-2521773109 
NE20245 
NCGC00181892-01 
Benzonitrile, 4-(4-morpholinylsulfonyl)- 
DA-16204 
Morpholine, 4-[(4-cyanophenyl)sulfonyl]- 
4-(morpholine-4-sulfonyl)benzonitrile 
FT-0742095 
EN300-26756 
Z45515860 
ZINC06863170 
ACN-040577 
CID4132823 
Morpholine, 4-[(p-cyanophenyl)sulfonyl]- 
4-(morpholin-4-ylsulfonyl)benzonitrile 
AC1Q6VKL 
AC1N4Q7U 
SCHEMBL5338240 
CTK0D9015 
DTXSID60399700 
CRMZHVBRNQNLLE-UHFFFAOYSA-N 
Literature
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