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Home > Indoles and Oxindole > 174610-41-4
174610-41-4 | 1H-Indole-3-ethanol, 5-(4H-1,2,4-triazol-4-yl)-
CAS No: 174610-41-4 Catalog No: AG001ZTL MDL No:
Product Description
Catalog Number:
AG001ZTL
Chemical Name:
1H-Indole-3-ethanol, 5-(4H-1,2,4-triazol-4-yl)-
CAS Number:
174610-41-4
Molecular Formula:
C12H12N4O
Molecular Weight:
228.2499
IUPAC Name:
2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethanol
InChI:
InChI=1S/C12H12N4O/c17-4-3-9-6-13-12-2-1-10(5-11(9)12)16-7-14-15-8-16/h1-2,5-8,13,17H,3-4H2
InChI Key:
MMPQMVIGGHLIND-UHFFFAOYSA-N
SMILES:
OCCc1c[nH]c2c1cc(cc2)n1cnnc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.255g/mol
Monoisotopic Mass:
228.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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