Name: Name:4-bromo-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01BFQM
Rating: 90 (10 reviews)

4-bromo-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:

1803572-42-0

Catalog Number:

AG01BFQM

Molecular Formula:

C10H7BrN2O3

Molecular Weight:

283.0782

Catalog Number:

AG01BFQM

Chemical Name:

4-bromo-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS Number:

1803572-42-0

Molecular Formula:

C10H7BrN2O3

Molecular Weight:

283.0782

MDL Number:

MFCD28118686

IUPAC Name:

4-bromo-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid

InChI:

InChI=1S/C10H7BrN2O3/c11-7-8(10(15)16)12-13(9(7)14)6-4-2-1-3-5-6/h1-5,12H,(H,15,16)

InChI Key:

YCDVXNIANVNCMU-UHFFFAOYSA-N

SMILES:

OC(=O)c1[nH]n(c(=O)c1Br)c1ccccc1

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.081g/mol

Monoisotopic Mass:

281.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1