2-chloro-5-(trifluoromethyl)-1,3-benzoxazole

2-chloro-5-(trifluoromethyl)-1,3-benzoxazole

CAS: 114997-91-0

Formula: C8H3ClF3NO

SMILES: FC(F)(F)C1=CC=C2OC(Cl)=NC2=C1

IUPAC: 2-chloro-5-(trifluoromethyl)-1,3-benzoxazole

InChI: InChI=1S/C8H3ClF3NO/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H

Composition: C (43.37%), H (1.36%), Cl (16.00%), F (25.72%), N (6.32%), O (7.22%)

Molar Mass: 221.56

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	220.9855259
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	USIZXRJQPABFJF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.72
Topological Polar Surface Area	26.03
Polarizability	17.12
Ring Count	2
Rotatable Bond Count	1

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