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Home > Imidazoles > 904816-56-4
904816-56-4 | 2-BENZO[1,3]DIOXOL-5-YL-3-NITRO-IMIDAZO[1,2-A]PYRIMIDINE
CAS No: 904816-56-4 Catalog No: AG006D3G MDL No:MFCD07021276
Product Description
Catalog Number:
AG006D3G
Chemical Name:
2-BENZO[1,3]DIOXOL-5-YL-3-NITRO-IMIDAZO[1,2-A]PYRIMIDINE
CAS Number:
904816-56-4
Molecular Formula:
C13H8N4O4
Molecular Weight:
284.2270
MDL Number:
MFCD07021276
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-3-nitroimidazo[1,2-a]pyrimidine
InChI:
InChI=1S/C13H8N4O4/c18-17(19)12-11(15-13-14-4-1-5-16(12)13)8-2-3-9-10(6-8)21-7-20-9/h1-6H,7H2
InChI Key:
MMVQPOIUCMKICV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(nc2n1cccn2)c1ccc2c(c1)OCO2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.231g/mol
Monoisotopic Mass:
284.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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