Name: Name:3-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-, methyl ester
Brand: Angene
SKU: AG0013F7
Rating: 90 (10 reviews)

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

CAS No.:

1375064-51-9

Catalog Number:

AG0013F7

Molecular Formula:

C11H8N2O5

Molecular Weight:

248.1916

Catalog Number:

AG0013F7

Chemical Name:

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

CAS Number:

1375064-51-9

Molecular Formula:

C11H8N2O5

Molecular Weight:

248.1916

MDL Number:

MFCD22192326

IUPAC Name:

methyl 5-(2-nitrophenyl)-1,2-oxazole-3-carboxylate

InChI:

InChI=1S/C11H8N2O5/c1-17-11(14)8-6-10(18-12-8)7-4-2-3-5-9(7)13(15)16/h2-6H,1H3

InChI Key:

NVHNLFNZDOHJQJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1noc(c1)c1ccccc1[N+](=O)[O-]

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.194g/mol

Monoisotopic Mass:

248.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: