Home Halogens 2,5-Dichlorophenyl isothiocyanate

2,5-Dichlorophenyl isothiocyanate

CAS No.:
3386-42-3
Catalog Number:
AG003FXM
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
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Product Description
Catalog Number:
AG003FXM
Chemical Name:
2,5-Dichlorophenyl isothiocyanate
CAS Number:
3386-42-3
Molecular Formula:
C7H3Cl2NS
Molecular Weight:
204.0764
MDL Number:
MFCD00041054
IUPAC Name:
1,4-dichloro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Cl2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChI Key:
JHTPBGFVWWSHDL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1N=C=S)Cl
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.936g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.068g/mol
Monoisotopic Mass:
202.936g/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