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1260842-73-6 | 1H-Indazole, 3-iodo-6-phenyl-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1260842-73-6 Catalog No: AG000RFR MDL No:
Product Description
Catalog Number:
AG000RFR
Chemical Name:
1H-Indazole, 3-iodo-6-phenyl-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1260842-73-6
Molecular Formula:
C18H17IN2O
Molecular Weight:
404.2448
IUPAC Name:
3-iodo-1-(oxan-2-yl)-6-phenylindazole
InChI:
InChI=1S/C18H17IN2O/c19-18-15-10-9-14(13-6-2-1-3-7-13)12-16(15)21(20-18)17-8-4-5-11-22-17/h1-3,6-7,9-10,12,17H,4-5,8,11H2
InChI Key:
NPXOBJVNNRTPEE-UHFFFAOYSA-N
SMILES:
Ic1nn(c2c1ccc(c2)c1ccccc1)C1CCCCO1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.039g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.251g/mol
Monoisotopic Mass:
404.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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