Home Halogens 7-chloro-5-fluoro-1,3-benzoxazole-2-thiol

7-chloro-5-fluoro-1,3-benzoxazole-2-thiol

CAS No.:
1249781-75-6
Catalog Number:
AG01AD2W
Molecular Formula:
C7H3ClFNOS
Molecular Weight:
203.6212
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Product Description
Catalog Number:
AG01AD2W
Chemical Name:
7-chloro-5-fluoro-1,3-benzoxazole-2-thiol
CAS Number:
1249781-75-6
Molecular Formula:
C7H3ClFNOS
Molecular Weight:
203.6212
MDL Number:
MFCD16742791
IUPAC Name:
7-chloro-5-fluoro-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H3ClFNOS/c8-4-1-3(9)2-5-6(4)11-7(12)10-5/h1-2H,(H,10,12)
InChI Key:
VDYXZRRIZKZXBI-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c2c(c1)nc(o2)S
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.961g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.615g/mol
Monoisotopic Mass:
202.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties