Home Halogens trichloroethanecarbonyl isothiocyanate

trichloroethanecarbonyl isothiocyanate

CAS No.:
15146-49-3
Catalog Number:
AG01DVHK
Molecular Formula:
C3Cl3NOS
Molecular Weight:
204.4622
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Product Description
Catalog Number:
AG01DVHK
Chemical Name:
trichloroethanecarbonyl isothiocyanate
CAS Number:
15146-49-3
Molecular Formula:
C3Cl3NOS
Molecular Weight:
204.4622
IUPAC Name:
2,2,2-trichloroacetyl isothiocyanate
InChI:
InChI=1S/C3Cl3NOS/c4-3(5,6)2(8)7-1-9
InChI Key:
NUJKKNIHJVAYQZ-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)C(Cl)(Cl)Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.877g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.449g/mol
Monoisotopic Mass:
202.877g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties