3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine

3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine

CAS: 910442-24-9

Formula: C9H6F3N3O

SMILES: NC1=NC(=NO1)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-amine

InChI: InChI=1S/C9H6F3N3O/c10-9(11,12)6-3-1-2-5(4-6)7-14-8(13)16-15-7/h1-4H,(H2,13,14,15)

Composition: C (47.17%), H (2.64%), F (24.87%), N (18.34%), O (6.98%)

Molar Mass: 229.162

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.046296314
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MDOPZJDBIFNDGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.23
Topological Polar Surface Area	64.94
Polarizability	18.13
Ring Count	2
Rotatable Bond Count	2

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Struchem co.,ltd

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