Name: Name:4-bromo-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
Brand: Angene
SKU: AG01CAER
Rating: 90 (10 reviews)

4-bromo-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one

CAS No.:

1542813-56-8

Catalog Number:

AG01CAER

Molecular Formula:

C5H4BrF3N2O

Molecular Weight:

244.9973

Catalog Number:

AG01CAER

Chemical Name:

4-bromo-1-methyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one

CAS Number:

1542813-56-8

Molecular Formula:

C5H4BrF3N2O

Molecular Weight:

244.9973

MDL Number:

MFCD26685419

IUPAC Name:

4-bromo-2-methyl-5-(trifluoromethyl)-4H-pyrazol-3-one

InChI:

InChI=1S/C5H4BrF3N2O/c1-11-4(12)2(6)3(10-11)5(7,8)9/h2H,1H3

InChI Key:

SCJJHLMKNIKQGJ-UHFFFAOYSA-N

SMILES:

BrC1C(=O)N(N=C1C(F)(F)F)C

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.999g/mol

Monoisotopic Mass:

243.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7