Home Other Building Blocks 4-fluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole

4-fluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole

CAS No.:
18645-92-6
Catalog Number:
AG01A4GY
Molecular Formula:
C8H4F4N2
Molecular Weight:
204.1244
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Product Description
Catalog Number:
AG01A4GY
Chemical Name:
4-fluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole
CAS Number:
18645-92-6
Molecular Formula:
C8H4F4N2
Molecular Weight:
204.1244
MDL Number:
MFCD18378516
IUPAC Name:
4-fluoro-2-(trifluoromethyl)-1H-benzimidazole
InChI:
InChI=1S/C8H4F4N2/c9-4-2-1-3-5-6(4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
KJUWDDLXAIAGAQ-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1nc([nH]2)C(F)(F)F
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.128g/mol
Monoisotopic Mass:
204.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties