Home Other Building Blocks 4-Chloro-3-(trifluoromethyl)phenyl isocyanate

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS No.:
327-78-6
Catalog Number:
AG0033ZD
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$24
- +
5g
97%
In Stock USA
United States
$74
- +
10g
97%
In Stock USA
United States
$139
- +
25g
97%
In Stock USA
United States
$207
- +
100g
97%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG0033ZD
Chemical Name:
4-Chloro-3-(trifluoromethyl)phenyl isocyanate
CAS Number:
327-78-6
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD00013874
IUPAC Name:
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI Key:
NBJZEUQTGLSUOB-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties