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Home > Fluorides > 1261268-98-7
1261268-98-7 | 2H-Tetrazole, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-
CAS No: 1261268-98-7 Catalog No: AG000RQ4 MDL No:MFCD18375295
Product Description
Catalog Number:
AG000RQ4
Chemical Name:
2H-Tetrazole, 5-[4-fluoro-3-(trifluoromethyl)phenyl]-
CAS Number:
1261268-98-7
Molecular Formula:
C8H4F4N4
Molecular Weight:
232.1378
MDL Number:
MFCD18375295
IUPAC Name:
5-[4-fluoro-3-(trifluoromethyl)phenyl]-2H-tetrazole
InChI:
InChI=1S/C8H4F4N4/c9-6-2-1-4(7-13-15-16-14-7)3-5(6)8(10,11)12/h1-3H,(H,13,14,15,16)
InChI Key:
DJAVSIDVPRVJEA-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C(F)(F)F)c1n[nH]nn1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.142g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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