Name: Name:Benzoic acid, 4-[[(5-nitro-2-furanyl)methyl]amino]-
Brand: Angene
SKU: AG004B0K
Rating: 90 (10 reviews)

Benzoic acid, 4-[[(5-nitro-2-furanyl)methyl]amino]-

CAS No.:

88796-61-6

Catalog Number:

AG004B0K

Molecular Formula:

C12H10N2O5

Molecular Weight:

262.2182

Catalog Number:

AG004B0K

Chemical Name:

Benzoic acid, 4-[[(5-nitro-2-furanyl)methyl]amino]-

CAS Number:

88796-61-6

Molecular Formula:

C12H10N2O5

Molecular Weight:

262.2182

MDL Number:

MFCD12714915

IUPAC Name:

4-[(5-nitrofuran-2-yl)methylamino]benzoic acid

InChI:

InChI=1S/C12H10N2O5/c15-12(16)8-1-3-9(4-2-8)13-7-10-5-6-11(19-10)14(17)18/h1-6,13H,7H2,(H,15,16)

InChI Key:

KEJMTVUKDIOHTE-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(o1)CNc1ccc(cc1)C(=O)O

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.221g/mol

Monoisotopic Mass:

262.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2