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78299-75-9 | 5-(Benzyloxy)-1H-indazole
CAS No: 78299-75-9 Catalog No: AG003MF3 MDL No:MFCD05664006
Product Description
Catalog Number:
AG003MF3
Chemical Name:
5-(Benzyloxy)-1H-indazole
CAS Number:
78299-75-9
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD05664006
IUPAC Name:
5-phenylmethoxy-1H-indazole
InChI:
InChI=1S/C14H12N2O/c1-2-4-11(5-3-1)10-17-13-6-7-14-12(8-13)9-15-16-14/h1-9H,10H2,(H,15,16)
InChI Key:
INFXNBBPBLSPDV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc2c(c1)cn[nH]2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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