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Home > Indoles and Oxindole > 68289-70-3
68289-70-3 | 6-METHOXY-2,3-DIMETHYL-5-NITRO-1H-INDOLE
CAS No: 68289-70-3 Catalog No: AG006BUW MDL No:
Product Description
Catalog Number:
AG006BUW
Chemical Name:
6-METHOXY-2,3-DIMETHYL-5-NITRO-1H-INDOLE
CAS Number:
68289-70-3
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
6-methoxy-2,3-dimethyl-5-nitro-1H-indole
InChI:
InChI=1S/C11H12N2O3/c1-6-7(2)12-9-5-11(16-3)10(13(14)15)4-8(6)9/h4-5,12H,1-3H3
InChI Key:
WNIBLLMFJUFEAS-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(c(c2cc1[N+](=O)[O-])C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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