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666749-58-2

666749-58-2 | 1-(4-methoxybenzyl)-4-nitro-1H-imidazole-5-carbaldehyde

CAS No: 666749-58-2 Catalog No: AG01DI1U MDL No:MFCD25965981

Product Description

Catalog Number:
AG01DI1U
Chemical Name:
1-(4-methoxybenzyl)-4-nitro-1H-imidazole-5-carbaldehyde
CAS Number:
666749-58-2
Molecular Formula:
C12H11N3O4
Molecular Weight:
261.2334
MDL Number:
MFCD25965981
IUPAC Name:
3-[(4-methoxyphenyl)methyl]-5-nitroimidazole-4-carbaldehyde
InChI:
InChI=1S/C12H11N3O4/c1-19-10-4-2-9(3-5-10)6-14-8-13-12(15(17)18)11(14)7-16/h2-5,7-8H,6H2,1H3
InChI Key:
WUHWNYXEMWMPDK-UHFFFAOYSA-N
SMILES:
O=Cc1n(cnc1[N+](=O)[O-])Cc1ccc(cc1)OC

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.237g/mol
Monoisotopic Mass:
261.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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