Name: Name:5-Nitro-1-(phenylmethyl)-1h-imidazole-4-carboxylic acid
Brand: Angene
SKU: AG006BB3
Rating: 90 (10 reviews)

5-Nitro-1-(phenylmethyl)-1h-imidazole-4-carboxylic acid

CAS No.:

69195-96-6

Catalog Number:

AG006BB3

Molecular Formula:

C11H9N3O4

Molecular Weight:

247.2069

Catalog Number:

AG006BB3

Chemical Name:

5-Nitro-1-(phenylmethyl)-1h-imidazole-4-carboxylic acid

CAS Number:

69195-96-6

Molecular Formula:

C11H9N3O4

Molecular Weight:

247.2069

MDL Number:

MFCD04972448

IUPAC Name:

1-benzyl-5-nitroimidazole-4-carboxylic acid

InChI:

InChI=1S/C11H9N3O4/c15-11(16)9-10(14(17)18)13(7-12-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)

InChI Key:

AOEZXACMKKLMIY-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1n(cnc1C(=O)O)Cc1ccccc1

Complexity:

325

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.21g/mol

Monoisotopic Mass:

247.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6