Name: Name:3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-
Brand: Angene
SKU: AG000K5W
Rating: 90 (10 reviews)

3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-

CAS No.:

1232028-11-3

Catalog Number:

AG000K5W

Molecular Formula:

C10H6N2O5

Molecular Weight:

234.1650

Catalog Number:

AG000K5W

Chemical Name:

3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-

CAS Number:

1232028-11-3

Molecular Formula:

C10H6N2O5

Molecular Weight:

234.1650

MDL Number:

MFCD17179148

IUPAC Name:

5-(2-nitrophenyl)-1,2-oxazole-3-carboxylic acid

InChI:

InChI=1S/C10H6N2O5/c13-10(14)7-5-9(17-11-7)6-3-1-2-4-8(6)12(15)16/h1-5H,(H,13,14)

InChI Key:

MMLOMUSIMLNSCH-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccccc1c1onc(c1)C(=O)O

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.167g/mol

Monoisotopic Mass:

234.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7