Name: Name:5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoic acid
Brand: Angene
SKU: AG00I7HW
Rating: 90 (10 reviews)

5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoic acid

CAS No.:

380580-59-6

Catalog Number:

AG00I7HW

Molecular Formula:

C11H11N3O5

Molecular Weight:

265.2221

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Product Description

Catalog Number:

AG00I7HW

Chemical Name:

5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoic acid

CAS Number:

380580-59-6

Molecular Formula:

C11H11N3O5

Molecular Weight:

265.2221

IUPAC Name:

5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid

InChI:

InChI=1S/C11H11N3O5/c1-6-10(14(17)18)7(2)13(12-6)5-8-3-4-9(19-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)

InChI Key:

WWNBPKPNFYJWDG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(C)nn(c1C)Cc1ccc(o1)C(=O)O

Properties

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.225g/mol

Monoisotopic Mass:

265.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties