Home Other Building Blocks 4-FLUORO-2-METHYLPHENYL ISOTHIOCYANATE

4-FLUORO-2-METHYLPHENYL ISOTHIOCYANATE

CAS No.:
52317-97-2
Catalog Number:
AG00D9NW
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
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Product Description
Catalog Number:
AG00D9NW
Chemical Name:
4-FLUORO-2-METHYLPHENYL ISOTHIOCYANATE
CAS Number:
52317-97-2
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD00046805
IUPAC Name:
4-fluoro-1-isothiocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6FNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChI Key:
WFIPMZZOAIIOOG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1C)F
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties