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Home > Indoles and Oxindole > 1375473-15-6
1375473-15-6 | 6-nitro-4-(propylsulfanyl)-1H-indole
CAS No: 1375473-15-6 Catalog No: AG019TMR MDL No:MFCD21602693
Product Description
Catalog Number:
AG019TMR
Chemical Name:
6-nitro-4-(propylsulfanyl)-1H-indole
CAS Number:
1375473-15-6
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD21602693
IUPAC Name:
6-nitro-4-propylsulfanyl-1H-indole
InChI:
InChI=1S/C11H12N2O2S/c1-2-5-16-11-7-8(13(14)15)6-10-9(11)3-4-12-10/h3-4,6-7,12H,2,5H2,1H3
InChI Key:
UCVOXCMQMGHJIN-UHFFFAOYSA-N
SMILES:
CCCSc1cc(cc2c1cc[nH]2)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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