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20233-04-9 | Thiocyanic acid, trichloromethyl ester
CAS No: 20233-04-9 Catalog No: AG00285Y MDL No:
Product Description
Catalog Number:
AG00285Y
Chemical Name:
Thiocyanic acid, trichloromethyl ester
CAS Number:
20233-04-9
Molecular Formula:
C2Cl3NS
Molecular Weight:
176.4521
IUPAC Name:
trichloromethyl thiocyanate
InChI:
InChI=1S/C2Cl3NS/c3-2(4,5)7-1-6
InChI Key:
RMUJSHZJFTWGGN-UHFFFAOYSA-N
SMILES:
N#CSC(Cl)(Cl)Cl
Properties
Complexity:
97.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.882g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.439g/mol
Monoisotopic Mass:
174.882g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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