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850364-08-8 | 4-(Benzyloxy);-1H-indazole
CAS No: 850364-08-8 Catalog No: AG003KT3 MDL No:MFCD06858676
Product Description
Catalog Number:
AG003KT3
Chemical Name:
4-(Benzyloxy);-1H-indazole
CAS Number:
850364-08-8
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD06858676
IUPAC Name:
4-phenylmethoxy-1H-indazole
InChI:
InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)10-17-14-8-4-7-13-12(14)9-15-16-13/h1-9H,10H2,(H,15,16)
InChI Key:
KTYOLSBHUABXAW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1cccc2c1cn[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
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