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

1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene

CAS No.:
302912-40-9
Catalog Number:
AG00BH1N
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BH1N
Chemical Name:
1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene
CAS Number:
302912-40-9
MDL Number:
MFCD02683532
IUPAC Name:
1-fluoro-2-isothiocyanato-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F4NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H
InChI Key:
PVQGRXJLBCCYLQ-UHFFFAOYSA-N
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.992g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.173g/mol
Monoisotopic Mass:
220.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties