Name: Name:3-iodo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01DW4S
Rating: 90 (10 reviews)

3-iodo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1946823-02-4

Catalog Number:

AG01DW4S

Molecular Formula:

C7H9IN2O2

Molecular Weight:

280.0630

Catalog Number:

AG01DW4S

Chemical Name:

3-iodo-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1946823-02-4

Molecular Formula:

C7H9IN2O2

Molecular Weight:

280.0630

MDL Number:

MFCD30377913

IUPAC Name:

3-iodo-1-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C7H9IN2O2/c1-4(2)10-3-5(7(11)12)6(8)9-10/h3-4H,1-2H3,(H,11,12)

InChI Key:

YLIIIGMONADNAQ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nc1I)C(C)C

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.971g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.065g/mol

Monoisotopic Mass:

279.971g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1