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Home > Indoles and Oxindole > 1697049-50-5
1697049-50-5 | 5'-nitro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]
CAS No: 1697049-50-5 Catalog No: AG01BP61 MDL No:MFCD30499915
Product Description
Catalog Number:
AG01BP61
Chemical Name:
5'-nitro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]
CAS Number:
1697049-50-5
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD30499915
IUPAC Name:
5-nitrospiro[1,2-dihydroindole-3,1'-cyclopentane]
InChI:
InChI=1S/C12H14N2O2/c15-14(16)9-3-4-11-10(7-9)12(8-13-11)5-1-2-6-12/h3-4,7,13H,1-2,5-6,8H2
InChI Key:
RQJIEBXOJJQQTL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C1(CCCC1)CN2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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