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834895-42-0 | Pyrrolidine, 1-[2-iodo-4-(3-phenyl-3H-naphtho[2,1-b]pyran-3-yl)phenyl]-
CAS No: 834895-42-0 Catalog No: AG0059DC MDL No:
Product Description
Catalog Number:
AG0059DC
Chemical Name:
Pyrrolidine, 1-[2-iodo-4-(3-phenyl-3H-naphtho[2,1-b]pyran-3-yl)phenyl]-
CAS Number:
834895-42-0
Molecular Formula:
C29H24INO
Molecular Weight:
529.4114
IUPAC Name:
1-[2-iodo-4-(3-phenylbenzo[f]chromen-3-yl)phenyl]pyrrolidine
InChI:
InChI=1S/C29H24INO/c30-26-20-23(13-14-27(26)31-18-6-7-19-31)29(22-9-2-1-3-10-22)17-16-25-24-11-5-4-8-21(24)12-15-28(25)32-29/h1-5,8-17,20H,6-7,18-19H2
InChI Key:
VIPWNFUFMRYNHO-UHFFFAOYSA-N
SMILES:
Ic1cc(ccc1N1CCCC1)C1(C=Cc2c(O1)ccc1c2cccc1)c1ccccc1
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.09g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
529.421g/mol
Monoisotopic Mass:
529.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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