Name: Name:4-Fluoro-5-(1h-pyrazol-1-yl)-2-nitrobenzoic acid
Brand: Angene
SKU: AG003LEP
Rating: 90 (10 reviews)

4-Fluoro-5-(1h-pyrazol-1-yl)-2-nitrobenzoic acid

CAS No.:

1186663-21-7

Catalog Number:

AG003LEP

Molecular Formula:

C10H6FN3O4

Molecular Weight:

251.1707

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Purity

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United States

$193

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Catalog Number:

AG003LEP

Chemical Name:

4-Fluoro-5-(1h-pyrazol-1-yl)-2-nitrobenzoic acid

CAS Number:

1186663-21-7

Molecular Formula:

C10H6FN3O4

Molecular Weight:

251.1707

MDL Number:

MFCD11656824

IUPAC Name:

4-fluoro-2-nitro-5-pyrazol-1-ylbenzoic acid

InChI:

InChI=1S/C10H6FN3O4/c11-7-5-8(14(17)18)6(10(15)16)4-9(7)13-3-1-2-12-13/h1-5H,(H,15,16)

InChI Key:

XYFAPGQLTCVZOK-UHFFFAOYSA-N

SMILES:

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

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.173g/mol

Monoisotopic Mass:

251.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3