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344750-44-3,MFCD12168843
Catalog No.:AA01A9GR
344750-44-3 | 2-fluoro-4-isothiocyanato-1-methoxybenzene
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Technical Information
Catalog Number:
AA01A9GR
Chemical Name:
2-fluoro-4-isothiocyanato-1-methoxybenzene
CAS Number:
344750-44-3
Molecular Formula:
C8H6FNOS
Molecular Weight:
183.2027
MDL Number:
MFCD12168843
IUPAC Name:
2-fluoro-4-isothiocyanato-1-methoxybenzene
InChI:
InChI=1S/C8H6FNOS/c1-11-8-3-2-6(10-5-12)4-7(8)9/h2-4H,1H3
InChI Key:
VQKFGMVWRAHVCT-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)F)OC
Properties
Computed Properties
 
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.2g/mol
Monoisotopic Mass:
183.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
2-fluoro-4-isothiocyanato-1-methoxybenzene 
344750-44-3 
AC1Q45L1 
ZINC37290788 
NE18031 
EN300-65267 
Literature
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