Home Other Building Blocks Benzene, 1,3,5-trifluoro-2-isothiocyanato-

Benzene, 1,3,5-trifluoro-2-isothiocyanato-

CAS No.:
206761-91-3
Catalog Number:
AG002IOC
Molecular Formula:
C7H2F3NS
Molecular Weight:
189.1577
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Product Description
Catalog Number:
AG002IOC
Chemical Name:
Benzene, 1,3,5-trifluoro-2-isothiocyanato-
CAS Number:
206761-91-3
Molecular Formula:
C7H2F3NS
Molecular Weight:
189.1577
MDL Number:
MFCD00041045
IUPAC Name:
1,3,5-trifluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2F3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
JPISVBDECFJHDB-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cc(cc1F)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.155g/mol
Monoisotopic Mass:
188.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties