Name: Name:3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
Brand: Angene
SKU: AG01BHZD
Rating: 90 (10 reviews)

3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid

CAS No.:

1784369-94-3

Catalog Number:

AG01BHZD

Molecular Formula:

C7H7BrN2O2

Molecular Weight:

231.0467

Catalog Number:

AG01BHZD

Chemical Name:

3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid

CAS Number:

1784369-94-3

Molecular Formula:

C7H7BrN2O2

Molecular Weight:

231.0467

MDL Number:

MFCD30734063

IUPAC Name:

3-bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid

InChI:

InChI=1S/C7H7BrN2O2/c8-5-4-2-1-3-10(4)9-6(5)7(11)12/h1-3H2,(H,11,12)

InChI Key:

LHUULALZSVGSSJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1nn2c(c1Br)CCC2

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.969g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.049g/mol

Monoisotopic Mass:

229.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1