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Home > Indoles and Oxindole > 120627-42-1
120627-42-1 | 1H-Indole, 1-(methoxymethyl)-5-nitro-
CAS No: 120627-42-1 Catalog No: AG007PQ2 MDL No:
Product Description
Catalog Number:
AG007PQ2
Chemical Name:
1H-Indole, 1-(methoxymethyl)-5-nitro-
CAS Number:
120627-42-1
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
1-(methoxymethyl)-5-nitroindole
InChI:
InChI=1S/C10H10N2O3/c1-15-7-11-5-4-8-6-9(12(13)14)2-3-10(8)11/h2-6H,7H2,1H3
InChI Key:
DUOIRVICHHHEHV-UHFFFAOYSA-N
SMILES:
COCn1ccc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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