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Home > Indoles and Oxindole > 134271-97-9
134271-97-9 | 1,3-Dimethyl-5-nitro-1H-indole
CAS No: 134271-97-9 Catalog No: AG01ESA8 MDL No:
Product Description
Catalog Number:
AG01ESA8
Chemical Name:
1,3-Dimethyl-5-nitro-1H-indole
CAS Number:
134271-97-9
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
1,3-dimethyl-5-nitroindole
InChI:
InChI=1S/C10H10N2O2/c1-7-6-11(2)10-4-3-8(12(13)14)5-9(7)10/h3-6H,1-2H3
InChI Key:
IVVOAOAJIGWRHG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(C)cn2C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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