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1314406-47-7 | 2H-Tetrazole, 5-[3-(1-naphthalenyloxy)phenyl]-
CAS No: 1314406-47-7 Catalog No: AG000W76 MDL No:MFCD19442774
Product Description
Catalog Number:
AG000W76
Chemical Name:
2H-Tetrazole, 5-[3-(1-naphthalenyloxy)phenyl]-
CAS Number:
1314406-47-7
Molecular Formula:
C17H12N4O
Molecular Weight:
288.3034
MDL Number:
MFCD19442774
IUPAC Name:
5-(3-naphthalen-1-yloxyphenyl)-2H-tetrazole
InChI:
InChI=1S/C17H12N4O/c1-2-9-15-12(5-1)6-4-10-16(15)22-14-8-3-7-13(11-14)17-18-20-21-19-17/h1-11H,(H,18,19,20,21)
InChI Key:
NSCYSEFDJMLCEB-UHFFFAOYSA-N
SMILES:
c1cc(cc(c1)c1n[nH]nn1)Oc1cccc2c1cccc2
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.31g/mol
Monoisotopic Mass:
288.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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