2-(chloromethyl)-6-(trifluoromethyl)-1,3-benzoxazole

2-(chloromethyl)-6-(trifluoromethyl)-1,3-benzoxazole

CAS: 944897-69-2

Formula: C9H5ClF3NO

SMILES: FC(F)(F)C1=CC=C2N=C(CCl)OC2=C1

IUPAC: 2-(chloromethyl)-6-(trifluoromethyl)-1,3-benzoxazole

InChI: InChI=1S/C9H5ClF3NO/c10-4-8-14-6-2-1-5(9(11,12)13)3-7(6)15-8/h1-3H,4H2

Composition: C (45.88%), H (2.14%), Cl (15.05%), F (24.19%), N (5.95%), O (6.79%)

Molar Mass: 235.59

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.001176
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DJEXBVWLAPVPIG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.89
Topological Polar Surface Area	26.03
Polarizability	18.73
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	944897-69-2		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02