Home Halogens 3,5-Dichloro-4-fluorophenyl isothiocyanate

3,5-Dichloro-4-fluorophenyl isothiocyanate

CAS No.:
1027513-82-1
Catalog Number:
AG01FB4Y
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$385
- +
5g
98%
1 week
United States
$1066
- +
25g
98%
1 week
United States
$3024
- +
Product Description
Catalog Number:
AG01FB4Y
Chemical Name:
3,5-Dichloro-4-fluorophenyl isothiocyanate
CAS Number:
1027513-82-1
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
MDL Number:
MFCD09996902
IUPAC Name:
1,3-dichloro-2-fluoro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl2FNS/c8-5-1-4(11-3-12)2-6(9)7(5)10/h1-2H
InChI Key:
IBUYCHXOCIFZBX-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Cl)c(c(c1)Cl)F
Properties
Complexity:
196  
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