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865887-17-8 | Ethyl 5-(benzyloxy)-1H-indazole-3-carboxylate
CAS No: 865887-17-8 Catalog No: AG004PKA MDL No:MFCD07371591
Product Description
Catalog Number:
AG004PKA
Chemical Name:
Ethyl 5-(benzyloxy)-1H-indazole-3-carboxylate
CAS Number:
865887-17-8
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
MDL Number:
MFCD07371591
IUPAC Name:
ethyl 5-phenylmethoxy-1H-indazole-3-carboxylate
InChI:
InChI=1S/C17H16N2O3/c1-2-21-17(20)16-14-10-13(8-9-15(14)18-19-16)22-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,19)
InChI Key:
SLXRKEYPUYJUAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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