Home Other Building Blocks 5-(3-TRIFLUOROMETHOXYPHENYL)-1H-TETRAZOLE

5-(3-TRIFLUOROMETHOXYPHENYL)-1H-TETRAZOLE

CAS No.:
216144-09-1
Catalog Number:
AG003M4V
Molecular Formula:
C8H5F3N4O
Molecular Weight:
230.1467
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Product Description
Catalog Number:
AG003M4V
Chemical Name:
5-(3-TRIFLUOROMETHOXYPHENYL)-1H-TETRAZOLE
CAS Number:
216144-09-1
Molecular Formula:
C8H5F3N4O
Molecular Weight:
230.1467
MDL Number:
MFCD01075683
IUPAC Name:
5-[3-(trifluoromethoxy)phenyl]-2H-tetrazole
InChI:
InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChI Key:
YKYWVXHVSVSQOX-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)c1[nH]nnn1)(F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.15g/mol
Monoisotopic Mass:
230.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties