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140843-15-8

140843-15-8 | 1H-Indole, 3-(2-nitroethyl)-2-propyl-

CAS No: 140843-15-8 Catalog No: AG001CVU MDL No:

Product Description

Catalog Number:
AG001CVU
Chemical Name:
1H-Indole, 3-(2-nitroethyl)-2-propyl-
CAS Number:
140843-15-8
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-(2-nitroethyl)-2-propyl-1H-indole
InChI:
InChI=1S/C13H16N2O2/c1-2-5-12-11(8-9-15(16)17)10-6-3-4-7-13(10)14-12/h3-4,6-7,14H,2,5,8-9H2,1H3
InChI Key:
GUHNMOXVQQBCAY-UHFFFAOYSA-N
SMILES:
CCCc1[nH]c2c(c1CC[N+](=O)[O-])cccc2

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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