IL-2-IN-1

CAT: 0607-BA6043-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6043-5Size:5 mg

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

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CAS Number

245747-10-8

Form

A solid

Molecular Formula

C17H12F6N4O2

Molecular Weight

418.29

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

CAS Number	245747-10-8
PubChem CID	2740686
IUPAC Name	N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
Molecular Formula	C17H12F6N4O2
Molecular Weight	418.29
XLogP	3.8
Topological Polar Surface Area	73
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	593

SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H12F6N4O2/c1-8-14(9(2)29-26-8)15(28)24-10-3-5-11(6-4-10)27-13(17(21,22)23)7-12(25-27)16(18,19)20/h3-7H,1-2H3,(H,24,28)

InChIKey

LAHVQXKWWOOVLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 245747-10-8

CID: 2740686

Formula: C17H12F6N4O2

MW: 418.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.29
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	418.08644461
Monoisotopic Mass	418.08644461
Topological Polar Surface Area	73 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	593
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