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89665-42-9 | 2H-Tetrazole, 5-[2-(2-furanylmethoxy)phenyl]-2-phenyl-
CAS No: 89665-42-9 Catalog No: AG0043I8 MDL No:
Product Description
Catalog Number:
AG0043I8
Chemical Name:
2H-Tetrazole, 5-[2-(2-furanylmethoxy)phenyl]-2-phenyl-
CAS Number:
89665-42-9
Molecular Formula:
C18H14N4O2
Molecular Weight:
318.3294
IUPAC Name:
5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole
InChI:
InChI=1S/C18H14N4O2/c1-2-7-14(8-3-1)22-20-18(19-21-22)16-10-4-5-11-17(16)24-13-15-9-6-12-23-15/h1-12H,13H2
InChI Key:
SEBHGPQMDPTLAQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1nnc(n1)c1ccccc1OCc1ccco1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.112g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.336g/mol
Monoisotopic Mass:
318.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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