Home Other Building Blocks 2-fluoro-4-isothiocyanato-1-methylbenzene

2-fluoro-4-isothiocyanato-1-methylbenzene

CAS No.:
116401-53-7
Catalog Number:
AG019OQV
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
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Product Description
Catalog Number:
AG019OQV
Chemical Name:
2-fluoro-4-isothiocyanato-1-methylbenzene
CAS Number:
116401-53-7
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD00046799
IUPAC Name:
2-fluoro-4-isothiocyanato-1-methylbenzene
InChI:
InChI=1S/C8H6FNS/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChI Key:
HWQXMSAUWJPXGJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)F)C
NSC Number:
129255
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