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886230-77-9 | (E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CAS No: 886230-77-9 Catalog No: AG00H0M9 MDL No:
Product Description
Catalog Number:
AG00H0M9
Chemical Name:
(E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CAS Number:
886230-77-9
Molecular Formula:
C19H18IN3O
Molecular Weight:
431.2702
IUPAC Name:
6-iodo-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
InChI:
InChI=1S/C19H18IN3O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-8+
InChI Key:
QXJFRDDGGSSQDX-CSKARUKUSA-N
SMILES:
Ic1ccc2c(c1)n(nc2/C=C/c1ccccn1)C1CCCCO1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
431.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.277g/mol
Monoisotopic Mass:
431.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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