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84858-15-1 | Formamide, N-[(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methyl]-
CAS No: 84858-15-1 Catalog No: AG004WOE MDL No:
Product Description
Catalog Number:
AG004WOE
Chemical Name:
Formamide, N-[(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methyl]-
CAS Number:
84858-15-1
Molecular Formula:
C17H15N3O3
Molecular Weight:
309.3193
IUPAC Name:
N-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]formamide
InChI:
InChI=1S/C17H15N3O3/c1-19-15-8-7-13(20(22)23)9-14(15)17(16(19)10-18-11-21)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,21)
InChI Key:
UBDBIHXKKYDQQG-UHFFFAOYSA-N
SMILES:
O=CNCc1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.325g/mol
Monoisotopic Mass:
309.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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