Home Other Building Blocks 1-fluoro-3-isothiocyanato-5-methoxybenzene

1-fluoro-3-isothiocyanato-5-methoxybenzene

CAS No.:
1360899-87-1
Catalog Number:
AG01DVX7
Molecular Formula:
C8H6FNOS
Molecular Weight:
183.2027
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Product Description
Catalog Number:
AG01DVX7
Chemical Name:
1-fluoro-3-isothiocyanato-5-methoxybenzene
CAS Number:
1360899-87-1
Molecular Formula:
C8H6FNOS
Molecular Weight:
183.2027
MDL Number:
MFCD22557691
IUPAC Name:
1-fluoro-3-isothiocyanato-5-methoxybenzene
InChI:
InChI=1S/C8H6FNOS/c1-11-8-3-6(9)2-7(4-8)10-5-12/h2-4H,1H3
InChI Key:
LVZYRJOHUMZCQJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(OC)cc(c1)F
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  
Properties