Home Fluorides 1025509-81-2
1025509-81-2,MFCD18070982
Catalog No.:AA0007MI
1025509-81-2 | 2-Fluoro-4-methylthio-1-nitrobenzene
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1g
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Technical Information
Catalog Number:
AA0007MI
Chemical Name:
2-Fluoro-4-methylthio-1-nitrobenzene
CAS Number:
1025509-81-2
Molecular Formula:
C7H6FNO2S
Molecular Weight:
187.1914
MDL Number:
MFCD18070982
IUPAC Name:
2-fluoro-4-methylsulfanyl-1-nitrobenzene
InChI:
InChI=1S/C7H6FNO2S/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key:
PXQUZZSEHGFNQU-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)F)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.188g/mol
Monoisotopic Mass:
187.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
2-Fluoro-4-methylthio-1-nitrobenzene 
1025509-81-2 
TRA0099719 
AK187205 
AS-32107 
SY010986 
DB-058826 
TC-307102 
Benzene, 2-fluoro-4-(methylthio)-1-nitro- 
FT-0717497 
Z-4097 
C7H6FNO2S 
SCHEMBL13497808 
887974-19-8 
CTK8E1748 
KS-00000ENB 
5553AJ 
MFCD18070982 
ZINC90556928 
AKOS024257796 
FCH1176799 
Literature
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