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Home > Fluorides > 168267-75-2
168267-75-2 | Phenol, 4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-
CAS No: 168267-75-2 Catalog No: AG001XYG MDL No:
Product Description
Catalog Number:
AG001XYG
Chemical Name:
Phenol, 4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-
CAS Number:
168267-75-2
Molecular Formula:
C8H5F3N4O
Molecular Weight:
230.1467
IUPAC Name:
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
InChI:
InChI=1S/C8H5F3N4O/c9-8(10,11)7-12-13-14-15(7)5-1-3-6(16)4-2-5/h1-4,16H
InChI Key:
UOYXRXIWIBKGOM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1nnnc1C(F)(F)F
Properties
Complexity:
242
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:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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