Name: Name:5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid
Brand: Angene
SKU: AG00IJ4E
Rating: 90 (10 reviews)

5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid

CAS No.:

954265-75-9

Catalog Number:

AG00IJ4E

Molecular Formula:

C11H9N3O4

Molecular Weight:

247.2069

Catalog Number:

AG00IJ4E

Chemical Name:

5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid

CAS Number:

954265-75-9

Molecular Formula:

C11H9N3O4

Molecular Weight:

247.2069

MDL Number:

MFCD09738922

IUPAC Name:

5-(2-methylimidazol-1-yl)-2-nitrobenzoic acid

InChI:

InChI=1S/C11H9N3O4/c1-7-12-4-5-13(7)8-2-3-10(14(17)18)9(6-8)11(15)16/h2-6H,1H3,(H,15,16)

InChI Key:

IUFVLPIIHJXSCC-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1[N+](=O)[O-])n1ccnc1C

Complexity:

344

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:

1.4