5-chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1,3-benzoxazole

5-chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1,3-benzoxazole

CAS: 343374-83-4

Formula: C11H7ClF3NOS

SMILES: FC(F)=C(F)CCSC1=NC2=CC(Cl)=CC=C2O1

IUPAC: 5-chloro-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1,3-benzoxazole

InChI: InChI=1S/C11H7ClF3NOS/c12-6-1-2-9-8(5-6)16-11(17-9)18-4-3-7(13)10(14)15/h1-2,5H,3-4H2

Composition: C (44.99%), H (2.40%), Cl (12.07%), F (19.41%), N (4.77%), O (5.45%), S (10.92%)

Molar Mass: 293.69

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	292.9888972
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OBTPGFTUFUVVIN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.09
Topological Polar Surface Area	26.03
Polarizability	25.23
Ring Count	2
Rotatable Bond Count	4

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