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4771-10-2 | 1-(5-nitro-1H-indol-3-yl)ethan-1-one
CAS No: 4771-10-2 Catalog No: AG019WY4 MDL No:MFCD01719263
Product Description
Catalog Number:
AG019WY4
Chemical Name:
1-(5-nitro-1H-indol-3-yl)ethan-1-one
CAS Number:
4771-10-2
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD01719263
IUPAC Name:
1-(5-nitro-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H8N2O3/c1-6(13)9-5-11-10-3-2-7(12(14)15)4-8(9)10/h2-5,11H,1H3
InChI Key:
MKWCZAGQLZTPIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(c[nH]2)C(=O)C
NSC Number:
60432
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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