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1022971-95-4,MFCD12149448
Catalog No.:AA00071V
1022971-95-4 | Benzenamine, 2-fluoro-6-(methylsulfonyl)-
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Technical Information
Catalog Number:
AA00071V
Chemical Name:
Benzenamine, 2-fluoro-6-(methylsulfonyl)-
CAS Number:
1022971-95-4
Molecular Formula:
C7H8FNO2S
Molecular Weight:
189.2073
MDL Number:
MFCD12149448
IUPAC Name:
2-fluoro-6-methylsulfonylaniline
InChI:
InChI=1S/C7H8FNO2S/c1-12(10,11)6-4-2-3-5(8)7(6)9/h2-4H,9H2,1H3
InChI Key:
VWKLVECIQHBNKS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1N)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.204g/mol
Monoisotopic Mass:
189.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
2-fluoro-6-methanesulfonylaniline 
1022971-95-4 
2-Fluoro-6-(methylsulfonyl)-aniline 
SCHEMBL2061390 
VWKLVECIQHBNKS-UHFFFAOYSA-N 
ZINC37418979 
2-Fluoro-6-methanesulfonyl-phenylamine 
NE46300 
Benzenamine, 2-fluoro-6-(methylsulfonyl)- 
BB 0259682 
J-509476 
Literature
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