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60676-78-0 | 3-ethyl-2-methyl-5-nitro-1H-indole
CAS No: 60676-78-0 Catalog No: AG01CAYA MDL No:MFCD00033468
Product Description
Catalog Number:
AG01CAYA
Chemical Name:
3-ethyl-2-methyl-5-nitro-1H-indole
CAS Number:
60676-78-0
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD00033468
IUPAC Name:
3-ethyl-2-methyl-5-nitro-1H-indole
InChI:
InChI=1S/C11H12N2O2/c1-3-9-7(2)12-11-5-4-8(13(14)15)6-10(9)11/h4-6,12H,3H2,1-2H3
InChI Key:
QMERMWACWLHWSF-UHFFFAOYSA-N
SMILES:
CCc1c(C)[nH]c2c1cc(cc2)[N+](=O)[O-]
NSC Number:
28926
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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