Name: Name:5-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Brand: Angene
SKU: AG01A29L
Rating: 90 (10 reviews)

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

CAS No.:

1007514-40-0

Catalog Number:

AG01A29L

Molecular Formula:

C8H6BrN3O3

Molecular Weight:

272.0555

Catalog Number:

AG01A29L

Chemical Name:

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

CAS Number:

1007514-40-0

Molecular Formula:

C8H6BrN3O3

Molecular Weight:

272.0555

MDL Number:

MFCD08700531

IUPAC Name:

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

InChI:

InChI=1S/C8H6BrN3O3/c9-5-2-10-12(3-5)4-6-1-7(8(13)14)11-15-6/h1-3H,4H2,(H,13,14)

InChI Key:

ADAYXFJAXAIJRF-UHFFFAOYSA-N

SMILES:

Brc1cnn(c1)Cc1onc(c1)C(=O)O

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.959g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.058g/mol

Monoisotopic Mass:

270.959g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9