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36728-90-2 | 1-methyl-4-nitro-1H-indole-3-carbaldehyde
CAS No: 36728-90-2 Catalog No: AG01BZDI MDL No:MFCD28366267
Product Description
Catalog Number:
AG01BZDI
Chemical Name:
1-methyl-4-nitro-1H-indole-3-carbaldehyde
CAS Number:
36728-90-2
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD28366267
IUPAC Name:
1-methyl-4-nitroindole-3-carbaldehyde
InChI:
InChI=1S/C10H8N2O3/c1-11-5-7(6-13)10-8(11)3-2-4-9(10)12(14)15/h2-6H,1H3
InChI Key:
RYBBIQHNOCGFHP-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1c(ccc2)[N+](=O)[O-])C
Properties
Complexity:
276
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:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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