Home Halogens Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-

Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-

CAS No.:
18967-42-5
Catalog Number:
AG002DVZ
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$68
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Product Description
Catalog Number:
AG002DVZ
Chemical Name:
Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-
CAS Number:
18967-42-5
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
MDL Number:
MFCD00041113
IUPAC Name:
1,2-dichloro-4-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2
InChI Key:
DPSSHXWTNIGVMQ-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccc(c(c1)Cl)Cl
NSC Number:
221245
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.952g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.095g/mol
Monoisotopic Mass:
216.952g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties