FT895

CAT: 0926-APD72857-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-APD72857-03Size:50 mg

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

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CAS Number

2225728-57-2

Smiles

CC1 (C2=CC=CC (=C2CN1C3=NC=C (N=C3) C (F) (F) F) C (=O) NO) C

Molecular Formula

C16H15F3N4O2

Molecular Weight

352.31 g/mol

Controlled

Chemical Information

N-hydroxy-1,1-dimethyl-2-[5-(trifluoromethyl)pyrazin-2-yl]-3H-isoindole-4-carboxamide

CAS Number	2225728-57-2
PubChem CID	134492522
IUPAC Name	N-hydroxy-1,1-dimethyl-2-[5-(trifluoromethyl)pyrazin-2-yl]-3H-isoindole-4-carboxamide
Molecular Formula	C16H15F3N4O2
Molecular Weight	352.31
XLogP	1.6
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	514

SMILES

CC1(C2=CC=CC(=C2CN1C3=NC=C(N=C3)C(F)(F)F)C(=O)NO)C

InChI

InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24)

InChIKey

XCLPBILTRRWOIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2225728-57-2

CID: 134492522

Formula: C16H15F3N4O2

MW: 352.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.31
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	352.11471022
Monoisotopic Mass	352.11471022
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	514
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