Home Other Building Blocks 1-isothiocyanato-2-(2,2,2-trifluoroethoxy)benzene

1-isothiocyanato-2-(2,2,2-trifluoroethoxy)benzene

CAS No.:
1378078-52-4
Catalog Number:
AG01EK18
Molecular Formula:
C9H6F3NOS
Molecular Weight:
233.2102
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EK18
Chemical Name:
1-isothiocyanato-2-(2,2,2-trifluoroethoxy)benzene
CAS Number:
1378078-52-4
Molecular Formula:
C9H6F3NOS
Molecular Weight:
233.2102
MDL Number:
MFCD31456791
IUPAC Name:
1-isothiocyanato-2-(2,2,2-trifluoroethoxy)benzene
InChI:
InChI=1S/C9H6F3NOS/c10-9(11,12)5-14-8-4-2-1-3-7(8)13-6-15/h1-4H,5H2
InChI Key:
FUDONOBFWDFDCR-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1OCC(F)(F)F
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.208g/mol
Monoisotopic Mass:
233.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties