Fasentin

CAT: 0926-BF167835-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-BF167835-01Size:10 mg

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

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CAS Number

392721-37-8

MDL Number

MFCD01001285

Smiles

CC (=O) CC (=O) NC1=CC (=C (C=C1) Cl) C (F) (F) F

Molecular Formula

C11H9ClF3NO2

Molecular Weight

279.64 g/mol

Controlled

Chemical Information

Fasentin

chemical sensitizer to death receptor stimuli FAS; structure in first source

CAS Number	392721-37-8
PubChem CID	879520
IUPAC Name	N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxobutanamide
Molecular Formula	C11H9ClF3NO2
Molecular Weight	279.64
XLogP	3.7
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	333

SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C11H9ClF3NO2/c1-6(17)4-10(18)16-7-2-3-9(12)8(5-7)11(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)

InChIKey

GNYIJZMBLZXJEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 392721-37-8

CID: 879520

Formula: C11H9ClF3NO2

MW: 279.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.64
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	279.0273907
Monoisotopic Mass	279.0273907
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	333
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