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Home > Indoles and Oxindole > 1799434-54-0
1799434-54-0 | Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one, 2-(3-iodo-1H-indazol-5-yl)-
CAS No: 1799434-54-0 Catalog No: AG0021HA MDL No:
Product Description
Catalog Number:
AG0021HA
Chemical Name:
Spiro[cyclopropane-1,3'-[3H]indol]-2'(1'H)-one, 2-(3-iodo-1H-indazol-5-yl)-
CAS Number:
1799434-54-0
Molecular Formula:
C17H12IN3O
Molecular Weight:
401.2012
IUPAC Name:
2'-(3-iodo-2H-indazol-5-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
InChI:
InChI=1S/C17H12IN3O/c18-15-10-7-9(5-6-13(10)20-21-15)12-8-17(12)11-3-1-2-4-14(11)19-16(17)22/h1-7,12H,8H2,(H,19,22)(H,20,21)
InChI Key:
NZWUONSEXBGACW-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31CC3c1ccc3c(c1)c(I)n[nH]3)cccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.003g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.207g/mol
Monoisotopic Mass:
401.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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