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88513-08-0 | 2-Naphthalenol, 3-(5-phenyl-1H-1,2,4-triazol-3-yl)-
CAS No: 88513-08-0 Catalog No: AG0048K2 MDL No:
Product Description
Catalog Number:
AG0048K2
Chemical Name:
2-Naphthalenol, 3-(5-phenyl-1H-1,2,4-triazol-3-yl)-
CAS Number:
88513-08-0
Molecular Formula:
C18H13N3O
Molecular Weight:
287.3153
IUPAC Name:
3-(3-phenyl-1H-1,2,4-triazol-5-yl)naphthalen-2-ol
InChI:
InChI=1S/C18H13N3O/c22-16-11-14-9-5-4-8-13(14)10-15(16)18-19-17(20-21-18)12-6-2-1-3-7-12/h1-11,22H,(H,19,20,21)
InChI Key:
QEQQKVMFDOFYKN-UHFFFAOYSA-N
SMILES:
Oc1cc2ccccc2cc1c1n[nH]c(n1)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.322g/mol
Monoisotopic Mass:
287.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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