Home Halogens 2,4,6-Trichlorophenyl isocyanate

2,4,6-Trichlorophenyl isocyanate

CAS No.:
2505-31-9
Catalog Number:
AG002QAE
Molecular Formula:
C7H2Cl3NO
Molecular Weight:
222.4559
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$148
- +
5g
>98.0%(GC)
1 week
United States
$403
- +
Product Description
Catalog Number:
AG002QAE
Chemical Name:
2,4,6-Trichlorophenyl isocyanate
CAS Number:
2505-31-9
Molecular Formula:
C7H2Cl3NO
Molecular Weight:
222.4559
MDL Number:
MFCD00013845
IUPAC Name:
1,3,5-trichloro-2-isocyanatobenzene
InChI:
InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
VDYWXVDWKFAUKE-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.92g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.449g/mol
Monoisotopic Mass:
220.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties