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918440-11-6 | 1H-Indazole, 3-iodo-6-methyl-5-(phenylmethoxy)-
CAS No: 918440-11-6 Catalog No: AG006RDO MDL No:
Product Description
Catalog Number:
AG006RDO
Chemical Name:
1H-Indazole, 3-iodo-6-methyl-5-(phenylmethoxy)-
CAS Number:
918440-11-6
Molecular Formula:
C15H13IN2O
Molecular Weight:
364.1810
IUPAC Name:
3-iodo-6-methyl-5-phenylmethoxy-2H-indazole
InChI:
InChI=1S/C15H13IN2O/c1-10-7-13-12(15(16)18-17-13)8-14(10)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
TWOOAXXFFAQRSR-UHFFFAOYSA-N
SMILES:
Cc1cc2[nH]nc(c2cc1OCc1ccccc1)I
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.186g/mol
Monoisotopic Mass:
364.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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