Home Other Building Blocks Benzene, 1-isocyanato-2-(trifluoromethoxy)-

Benzene, 1-isocyanato-2-(trifluoromethoxy)-

CAS No.:
182500-26-1
Catalog Number:
AG0023Y9
Molecular Formula:
C8H4F3NO2
Molecular Weight:
203.1181
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$207
- +
5g
In Stock USA
United States
$486
- +
Product Description
Catalog Number:
AG0023Y9
Chemical Name:
Benzene, 1-isocyanato-2-(trifluoromethoxy)-
CAS Number:
182500-26-1
Molecular Formula:
C8H4F3NO2
Molecular Weight:
203.1181
MDL Number:
MFCD00134160
IUPAC Name:
1-isocyanato-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)12-5-13/h1-4H
InChI Key:
CTMGYQHKKIEXKF-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1OC(F)(F)F
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.12g/mol
Monoisotopic Mass:
203.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties