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Home > Fluorides > 114478-47-6
114478-47-6 | 2H-Tetrazole, 5-(3-fluorophenoxy)-
CAS No: 114478-47-6 Catalog No: AG000EH4 MDL No:
Product Description
Catalog Number:
AG000EH4
Chemical Name:
2H-Tetrazole, 5-(3-fluorophenoxy)-
CAS Number:
114478-47-6
Molecular Formula:
C7H5FN4O
Molecular Weight:
180.1392
IUPAC Name:
5-(3-fluorophenoxy)-2H-tetrazole
InChI:
InChI=1S/C7H5FN4O/c8-5-2-1-3-6(4-5)13-7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChI Key:
CPLPMHKOXQDJBO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Oc1n[nH]nn1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.142g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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