Home Halogens 1,3-dichloro-2-isothiocyanato-4-methylbenzene

1,3-dichloro-2-isothiocyanato-4-methylbenzene

CAS No.:
1036587-85-5
Catalog Number:
AG01AALA
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
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Product Description
Catalog Number:
AG01AALA
Chemical Name:
1,3-dichloro-2-isothiocyanato-4-methylbenzene
CAS Number:
1036587-85-5
Molecular Formula:
C8H5Cl2NS
Molecular Weight:
218.1030
MDL Number:
MFCD11117350
IUPAC Name:
1,3-dichloro-2-isothiocyanato-4-methylbenzene
InChI:
InChI=1S/C8H5Cl2NS/c1-5-2-3-6(9)8(7(5)10)11-4-12/h2-3H,1H3
InChI Key:
OFERGZYJXXNVDN-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Cl)ccc(c1Cl)C
Properties
Complexity:
203  
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:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties