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220429-69-6 | 5-(2-PHENOXYPHENYL)-2H-TETRAZOLE
CAS No: 220429-69-6 Catalog No: AG003M44 MDL No:MFCD18911738
Product Description
Catalog Number:
AG003M44
Chemical Name:
5-(2-PHENOXYPHENYL)-2H-TETRAZOLE
CAS Number:
220429-69-6
Molecular Formula:
C13H10N4O
Molecular Weight:
238.2447
MDL Number:
MFCD18911738
IUPAC Name:
5-(2-phenoxyphenyl)-2H-tetrazole
InChI:
InChI=1S/C13H10N4O/c1-2-6-10(7-3-1)18-12-9-5-4-8-11(12)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChI Key:
GHCLLWCBVCNWTJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ccccc1c1nn[nH]n1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.25g/mol
Monoisotopic Mass:
238.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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