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312591-46-1 | 1-(5-nitro-1H-indol-3-yl)propan-1-one
CAS No: 312591-46-1 Catalog No: AG01AC5B MDL No:MFCD00449856
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
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