Home Other Building Blocks 1-fluoro-4-(2-isothiocyanatoethyl)benzene

1-fluoro-4-(2-isothiocyanatoethyl)benzene

CAS No.:
2740-86-5
Catalog Number:
AG01B9N8
Molecular Formula:
C9H8FNS
Molecular Weight:
181.2299
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Product Description
Catalog Number:
AG01B9N8
Chemical Name:
1-fluoro-4-(2-isothiocyanatoethyl)benzene
CAS Number:
2740-86-5
Molecular Formula:
C9H8FNS
Molecular Weight:
181.2299
MDL Number:
MFCD06740502
IUPAC Name:
1-fluoro-4-(2-isothiocyanatoethyl)benzene
InChI:
InChI=1S/C9H8FNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
InChI Key:
ZNXRFHTVDQAAAB-UHFFFAOYSA-N
SMILES:
S=C=NCCc1ccc(cc1)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.228g/mol
Monoisotopic Mass:
181.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties