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88965-99-5 | 1-Naphthalenol, 1,2,3,4-tetrahydro-1-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 88965-99-5 Catalog No: AG0045WR MDL No:
Product Description
Catalog Number:
AG0045WR
Chemical Name:
1-Naphthalenol, 1,2,3,4-tetrahydro-1-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
88965-99-5
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
1-(1,2,4-triazol-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-ol
InChI:
InChI=1S/C13H15N3O/c17-13(8-16-10-14-9-15-16)7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,9-10,17H,3,5,7-8H2
InChI Key:
LGFRKCARGNAADY-UHFFFAOYSA-N
SMILES:
OC1(CCCc2c1cccc2)Cn1cncn1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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