Name: Name:Benzoic acid, 2-nitro-4,5-di-1H-pyrazol-1-yl-, ethyl ester
Brand: Angene
SKU: AG000OBD
Rating: 90 (10 reviews)

Benzoic acid, 2-nitro-4,5-di-1H-pyrazol-1-yl-, ethyl ester

CAS No.:

1256633-25-6

Catalog Number:

AG000OBD

Molecular Formula:

C15H13N5O4

Molecular Weight:

327.2948

Catalog Number:

AG000OBD

Chemical Name:

Benzoic acid, 2-nitro-4,5-di-1H-pyrazol-1-yl-, ethyl ester

CAS Number:

1256633-25-6

Molecular Formula:

C15H13N5O4

Molecular Weight:

327.2948

MDL Number:

MFCD18071043

IUPAC Name:

ethyl 2-nitro-4,5-di(pyrazol-1-yl)benzoate

InChI:

InChI=1S/C15H13N5O4/c1-2-24-15(21)11-9-13(18-7-3-5-16-18)14(10-12(11)20(22)23)19-8-4-6-17-19/h3-10H,2H2,1H3

InChI Key:

VGSVCOTZKCUFSO-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cc(n2cccn2)c(cc1[N+](=O)[O-])n1cccn1

Complexity:

471

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.3g/mol

Monoisotopic Mass:

327.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9