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Home > Fluorides > 1000575-99-4
1000575-99-4 | 4-Fluoro-3-methoxyphenylisothiocyanate
CAS No: 1000575-99-4 Catalog No: AG01F41C MDL No:MFCD09800755
Product Description
Catalog Number:
AG01F41C
Chemical Name:
4-Fluoro-3-methoxyphenylisothiocyanate
CAS Number:
1000575-99-4
Molecular Formula:
C8H6FNOS
Molecular Weight:
183.2027
MDL Number:
MFCD09800755
IUPAC Name:
1-fluoro-4-isothiocyanato-2-methoxybenzene
InChI:
InChI=1S/C8H6FNOS/c1-11-8-4-6(10-5-12)2-3-7(8)9/h2-4H,1H3
InChI Key:
IRNGZDKFWJIFLU-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)OC)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
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