Name: Name:3-bromo-1-{[3-(trifluoromethyl)phenyl]methyl}piperidin-2-one
Brand: Angene
SKU: AG01A4TP
Rating: 90 (10 reviews)

3-bromo-1-{[3-(trifluoromethyl)phenyl]methyl}piperidin-2-one

CAS No.:

1432678-90-4

Catalog Number:

AG01A4TP

Molecular Formula:

C13H13BrF3NO

Molecular Weight:

336.1476

Catalog Number:

AG01A4TP

Chemical Name:

3-bromo-1-{[3-(trifluoromethyl)phenyl]methyl}piperidin-2-one

CAS Number:

1432678-90-4

Molecular Formula:

C13H13BrF3NO

Molecular Weight:

336.1476

MDL Number:

MFCD19590544

IUPAC Name:

3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

InChI:

InChI=1S/C13H13BrF3NO/c14-11-5-2-6-18(12(11)19)8-9-3-1-4-10(7-9)13(15,16)17/h1,3-4,7,11H,2,5-6,8H2

InChI Key:

FDIKSCCJXGNSJK-UHFFFAOYSA-N

SMILES:

O=C1C(Br)CCCN1Cc1cccc(c1)C(F)(F)F

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.152g/mol

Monoisotopic Mass:

335.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4