Fluralaner Impurity 13

CAT: 1596-AR-F10515-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-F10515-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1655515-91-5

Synonyms

1- (3-Bromo-5-chlorophenyl) -2,2,2-trifluoroethan-1-one

Molecular Formula

C8H3BrClF3O

Molecular Weight

287.46

API Name

Fluralaner

Chemical Information

1-(3-Bromo-5-chlorophenyl)-2,2,2-trifluoroethan-1-one

CAS Number	1655515-91-5
PubChem CID	165631289
IUPAC Name	1-(3-bromo-5-chlorophenyl)-2,2,2-trifluoroethanone
Molecular Formula	C8H3BrClF3O
Molecular Weight	287.46
XLogP	4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	231

SMILES

C1=C(C=C(C=C1Cl)Br)C(=O)C(F)(F)F

InChI

InChI=1S/C8H3BrClF3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H

InChIKey

CIDLEIJYDXYTQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1655515-91-5

CID: 165631289

Formula: C8H3BrClF3O

MW: 287.46

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.46
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	285.90079
Monoisotopic Mass	285.90079
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes