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

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

CAS: 23420-88-4

Formula: C8H3ClF3NS

SMILES: FC(F)(F)C1=CC=C2SC(Cl)=NC2=C1

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

InChI: InChI=1S/C8H3ClF3NS/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H

Composition: C (40.44%), H (1.27%), Cl (14.92%), F (23.99%), N (5.89%), S (13.49%)

Molar Mass: 237.62

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.9626825
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KMHYDRGLBQZDAE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.13
Topological Polar Surface Area	12.89
Polarizability	18.84
Ring Count	2
Rotatable Bond Count	1

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