Name: Name:1-(4-methoxybenzyl)-4-nitro-1H-imidazole-5-carbaldehyde
Brand: Angene
SKU: AG01DI1U
Rating: 90 (10 reviews)

1-(4-methoxybenzyl)-4-nitro-1H-imidazole-5-carbaldehyde

CAS No.:

666749-58-2

Catalog Number:

AG01DI1U

Molecular Formula:

C12H11N3O4

Molecular Weight:

261.2334

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

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.237g/mol

Monoisotopic Mass:

261.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5