Name: Name:5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-3-carboxylic acid
Brand: Angene
SKU: AG01A1CX
Rating: 90 (10 reviews)

5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-3-carboxylic acid

CAS No.:

1247390-92-6

Catalog Number:

AG01A1CX

Molecular Formula:

C9H7BrN2O3

Molecular Weight:

271.0675

Catalog Number:

AG01A1CX

Chemical Name:

5-[(4-bromo-1H-pyrazol-1-yl)methyl]furan-3-carboxylic acid

CAS Number:

1247390-92-6

Molecular Formula:

C9H7BrN2O3

Molecular Weight:

271.0675

MDL Number:

MFCD16702635

IUPAC Name:

5-[(4-bromopyrazol-1-yl)methyl]furan-3-carboxylic acid

InChI:

InChI=1S/C9H7BrN2O3/c10-7-2-11-12(3-7)4-8-1-6(5-15-8)9(13)14/h1-3,5H,4H2,(H,13,14)

InChI Key:

XPXBAYSXECXNDZ-UHFFFAOYSA-N

SMILES:

Brc1cnn(c1)Cc1occ(c1)C(=O)O

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.07g/mol

Monoisotopic Mass:

269.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1