Name: Name:3-(4-nitro-1H-pyrazol-1-yl)cyclobutan-1-one
Brand: Angene
SKU: AG01BS5W
Rating: 90 (10 reviews)

3-(4-nitro-1H-pyrazol-1-yl)cyclobutan-1-one

CAS No.:

2089277-18-7

Catalog Number:

AG01BS5W

Molecular Formula:

C7H7N3O3

Molecular Weight:

181.1488

Catalog Number:

AG01BS5W

Chemical Name:

3-(4-nitro-1H-pyrazol-1-yl)cyclobutan-1-one

CAS Number:

2089277-18-7

Molecular Formula:

C7H7N3O3

Molecular Weight:

181.1488

MDL Number:

MFCD30537783

IUPAC Name:

3-(4-nitropyrazol-1-yl)cyclobutan-1-one

InChI:

InChI=1S/C7H7N3O3/c11-7-1-5(2-7)9-4-6(3-8-9)10(12)13/h3-5H,1-2H2

InChI Key:

LQDSMCUMZVZXBY-UHFFFAOYSA-N

SMILES:

O=C1CC(C1)n1ncc(c1)[N+](=O)[O-]

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.151g/mol

Monoisotopic Mass:

181.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5