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Home > Indoles and Oxindole > 820234-20-6
820234-20-6 | 1H-Indole, 1-(2-methoxybenzoyl)-5-nitro-
CAS No: 820234-20-6 Catalog No: AG004YF3 MDL No:
Product Description
Catalog Number:
AG004YF3
Chemical Name:
1H-Indole, 1-(2-methoxybenzoyl)-5-nitro-
CAS Number:
820234-20-6
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
(2-methoxyphenyl)-(5-nitroindol-1-yl)methanone
InChI:
InChI=1S/C16H12N2O4/c1-22-15-5-3-2-4-13(15)16(19)17-9-8-11-10-12(18(20)21)6-7-14(11)17/h2-10H,1H3
InChI Key:
RIIVACVSNAQMBV-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)n1ccc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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