Name: Name:2-Furancarboxylic acid, 5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
Brand: Angene
SKU: AG0030UP
Rating: 90 (10 reviews)

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

CAS No.:

306935-28-4

Catalog Number:

AG0030UP

Molecular Formula:

C11H11BrN2O3

Molecular Weight:

299.1206

Catalog Number:

AG0030UP

Chemical Name:

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

CAS Number:

306935-28-4

Molecular Formula:

C11H11BrN2O3

Molecular Weight:

299.1206

MDL Number:

MFCD00209309

IUPAC Name:

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

InChI:

InChI=1S/C11H11BrN2O3/c1-6-10(12)7(2)14(13-6)5-8-3-4-9(17-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)

InChI Key:

TXZIGOBIIZTCGA-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(o1)Cn1nc(c(c1C)Br)C

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.124g/mol

Monoisotopic Mass:

297.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3