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Home > Fluorides > 1261268-92-1
1261268-92-1 | 2H-Tetrazole, 5-[2-(trifluoromethoxy)phenyl]-
CAS No: 1261268-92-1 Catalog No: AG000RP0 MDL No:MFCD18375292
Product Description
Catalog Number:
AG000RP0
Chemical Name:
2H-Tetrazole, 5-[2-(trifluoromethoxy)phenyl]-
CAS Number:
1261268-92-1
Molecular Formula:
C8H5F3N4O
Molecular Weight:
230.1467
MDL Number:
MFCD18375292
IUPAC Name:
5-[2-(trifluoromethoxy)phenyl]-2H-tetrazole
InChI:
InChI=1S/C8H5F3N4O/c9-8(10,11)16-6-4-2-1-3-5(6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChI Key:
DDHPQTFUZBZZBF-UHFFFAOYSA-N
SMILES:
FC(Oc1ccccc1c1n[nH]nn1)(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
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