DHODH-IN-13

CAT: 0127-BUP16280-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16280-01Size:1 mg

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

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CAS Number

1364791-86-5

Purity

=98%

Smiles

C(NC1=CC=C(C(F)(F)F)C=C1)(=O)C=2C(=O)NON2

Chemical Information

Dhodh-IN-13

CAS Number	1364791-86-5
PubChem CID	57381308
IUPAC Name	4-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
Molecular Formula	C10H6F3N3O3
Molecular Weight	273.17
XLogP	1.9
Topological Polar Surface Area	79.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	414

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=NONC2=O

InChI

InChI=1S/C10H6F3N3O3/c11-10(12,13)5-1-3-6(4-2-5)14-8(17)7-9(18)16-19-15-7/h1-4H,(H,14,17)(H,16,18)

InChIKey

SYZRMPPEMZWUSK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1364791-86-5

CID: 57381308

Formula: C10H6F3N3O3

MW: 273.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.17
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	273.03612555
Monoisotopic Mass	273.03612555
Topological Polar Surface Area	79.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	414
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