Home Halogens 4-chlorobenzothiohydrazide 2,2,2-trifluoroacetate

4-chlorobenzothiohydrazide 2,2,2-trifluoroacetate

CAS No.:
1956323-03-7
Catalog Number:
AG01DJF9
Molecular Formula:
C9H8ClF3N2O2S
Molecular Weight:
300.6852
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Product Description
Catalog Number:
AG01DJF9
Chemical Name:
4-chlorobenzothiohydrazide 2,2,2-trifluoroacetate
CAS Number:
1956323-03-7
Molecular Formula:
C9H8ClF3N2O2S
Molecular Weight:
300.6852
MDL Number:
MFCD28991873
IUPAC Name:
4-chlorobenzenecarbothiohydrazide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H7ClN2S.C2HF3O2/c8-6-3-1-5(2-4-6)7(11)10-9;3-2(4,5)1(6)7/h1-4H,9H2,(H,10,11);(H,6,7)
InChI Key:
UQFAAIASXCYCJE-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NNC(=S)c1ccc(cc1)Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.995g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
300.68g/mol
Monoisotopic Mass:
299.995g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties