Name: Name:5-[(4-bromo-1H-pyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
Brand: Angene
SKU: AG01A1FE
Rating: 90 (10 reviews)

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

CAS No.:

1183176-76-2

Catalog Number:

AG01A1FE

Molecular Formula:

C10H9BrN2O3

Molecular Weight:

285.0941

Catalog Number:

AG01A1FE

Chemical Name:

5-[(4-bromo-1H-pyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

CAS Number:

1183176-76-2

Molecular Formula:

C10H9BrN2O3

Molecular Weight:

285.0941

MDL Number:

MFCD12779155

IUPAC Name:

5-[(4-bromopyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid

InChI:

InChI=1S/C10H9BrN2O3/c1-6-2-8(16-9(6)10(14)15)5-13-4-7(11)3-12-13/h2-4H,5H2,1H3,(H,14,15)

InChI Key:

WLCLQBADVCRIMG-UHFFFAOYSA-N

SMILES:

Brc1cnn(c1)Cc1cc(c(o1)C(=O)O)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.097g/mol

Monoisotopic Mass:

283.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8