Home Halogens 3,4-Dichloro-2-fluorophenylisothiocyanate

3,4-Dichloro-2-fluorophenylisothiocyanate

CAS No.:
1895912-47-6
Catalog Number:
AG01FBPU
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$330
- +
5g
97%
1 week
United States
$1177
- +
25g
97%
1 week
United States
$4496
- +
Product Description
Catalog Number:
AG01FBPU
Chemical Name:
3,4-Dichloro-2-fluorophenylisothiocyanate
CAS Number:
1895912-47-6
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
MDL Number:
MFCD30717748
IUPAC Name:
1,2-dichloro-3-fluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl2FNS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:
BKQUSECQDJWGCO-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1F)Cl)Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.927g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.058g/mol
Monoisotopic Mass:
220.927g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties