Home Halogens 4-Bromo-3-chlorophenyl isothiocyanate

4-Bromo-3-chlorophenyl isothiocyanate

CAS No.:
32118-33-5
Catalog Number:
AG00C0IX
Molecular Formula:
C7H3BrClNS
Molecular Weight:
248.5274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$32
- +
5g
97%
In Stock USA
United States
$75
- +
25g
97%
In Stock USA
United States
$219
- +
100g
97%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG00C0IX
Chemical Name:
4-Bromo-3-chlorophenyl isothiocyanate
CAS Number:
32118-33-5
Molecular Formula:
C7H3BrClNS
Molecular Weight:
248.5274
MDL Number:
MFCD00041071
IUPAC Name:
1-bromo-2-chloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
NYJNWHXQEZOISL-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Cl)Br
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.886g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.522g/mol
Monoisotopic Mass:
246.886g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties