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Home > Indoles and Oxindole > 160194-39-8
160194-39-8 | 1H-Indole-3-ethanol, 5-(1H-1,2,4-triazol-1-ylmethyl)-
CAS No: 160194-39-8 Catalog No: AG001RR6 MDL No:MFCD03840590
Product Description
Catalog Number:
AG001RR6
Chemical Name:
1H-Indole-3-ethanol, 5-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
160194-39-8
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
MDL Number:
MFCD03840590
IUPAC Name:
2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol
InChI:
InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2
InChI Key:
WXWBRTKSGCYLQS-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]c2c1cc(Cn1cncn1)cc2
UNII:
GUF1804OA0
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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