Name: Name:Benzoic acid, 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)-, ethyl ester
Brand: Angene
SKU: AG000OAY
Rating: 90 (10 reviews)

Benzoic acid, 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)-, ethyl ester

CAS No.:

1256633-41-6

Catalog Number:

AG000OAY

Molecular Formula:

C12H10FN3O4

Molecular Weight:

279.2239

Catalog Number:

AG000OAY

Chemical Name:

Benzoic acid, 4-fluoro-2-nitro-5-(1H-pyrazol-1-yl)-, ethyl ester

CAS Number:

1256633-41-6

Molecular Formula:

C12H10FN3O4

Molecular Weight:

279.2239

MDL Number:

MFCD18071046

IUPAC Name:

ethyl 4-fluoro-2-nitro-5-pyrazol-1-ylbenzoate

InChI:

InChI=1S/C12H10FN3O4/c1-2-20-12(17)8-6-11(15-5-3-4-14-15)9(13)7-10(8)16(18)19/h3-7H,2H2,1H3

InChI Key:

QZAVUQIQAFBBIY-UHFFFAOYSA-N

SMILES:

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

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.227g/mol

Monoisotopic Mass:

279.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: