Home Other Building Blocks 2-(difluoromethoxy)-6-fluorobenzene-1-carbothioamide

2-(difluoromethoxy)-6-fluorobenzene-1-carbothioamide

CAS No.:
1155138-78-5
Catalog Number:
AG01C1IF
Molecular Formula:
C8H6F3NOS
Molecular Weight:
221.1995
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Product Description
Catalog Number:
AG01C1IF
Chemical Name:
2-(difluoromethoxy)-6-fluorobenzene-1-carbothioamide
CAS Number:
1155138-78-5
Molecular Formula:
C8H6F3NOS
Molecular Weight:
221.1995
MDL Number:
MFCD12094387
IUPAC Name:
2-(difluoromethoxy)-6-fluorobenzenecarbothioamide
InChI:
InChI=1S/C8H6F3NOS/c9-4-2-1-3-5(13-8(10)11)6(4)7(12)14/h1-3,8H,(H2,12,14)
InChI Key:
AKUJAKPXMWUOPQ-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1C(=S)N)F)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.197g/mol
Monoisotopic Mass:
221.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties