Home Nitros 1-(5-nitro-1H-indol-3-yl)propan-1-one

1-(5-nitro-1H-indol-3-yl)propan-1-one

CAS No.:
312591-46-1
Catalog Number:
AG01AC5B
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
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Product Description
Catalog Number:
AG01AC5B
Chemical Name:
1-(5-nitro-1H-indol-3-yl)propan-1-one
CAS Number:
312591-46-1
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD00449856
IUPAC Name:
1-(5-nitro-1H-indol-3-yl)propan-1-one
InChI:
InChI=1S/C11H10N2O3/c1-2-11(14)9-6-12-10-4-3-7(13(15)16)5-8(9)10/h3-6,12H,2H2,1H3
InChI Key:
WDSXPRGHVIEVDF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1c[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties