Home Other Building Blocks 4-(Trifluoromethyl)benzyl isocyanate

4-(Trifluoromethyl)benzyl isocyanate

CAS No.:
102422-55-9
Catalog Number:
AG0007G5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$188
- +
10g
97%
In Stock USA
United States
$313
- +
25g
97%
In Stock USA
United States
$594
- +
Product Description
Catalog Number:
AG0007G5
Chemical Name:
4-(Trifluoromethyl)benzyl isocyanate
CAS Number:
102422-55-9
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD07779315
IUPAC Name:
1-(isocyanatomethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)8-3-1-7(2-4-8)5-13-6-14/h1-4H,5H2
InChI Key:
MBBQXHDBRSSIKS-UHFFFAOYSA-N
SMILES:
O=C=NCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties