Home Other Building Blocks 3,5-Bis(trifluoromethyl)phenyl isocyanate

3,5-Bis(trifluoromethyl)phenyl isocyanate

CAS No.:
16588-74-2
Catalog Number:
AG001WET
Molecular Formula:
C9H3F6NO
Molecular Weight:
255.1166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$363
- +
100g
98%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG001WET
Chemical Name:
3,5-Bis(trifluoromethyl)phenyl isocyanate
CAS Number:
16588-74-2
Molecular Formula:
C9H3F6NO
Molecular Weight:
255.1166
MDL Number:
MFCD00013559
IUPAC Name:
1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChI Key:
NRSSOFNMWSJECS-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.012g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.119g/mol
Monoisotopic Mass:
255.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties