AG0039ZF

110704-50-2 | 2-(chloroMethyl)-5-(trifluoroMethyl)-Benzothiazole

AG0039ZF

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CAS Number	110704-50-2
Catalog Number	AG0039ZF(AGN-PC-000P5C)
Chemical Name	2-(chloroMethyl)-5-(trifluoroMethyl)-Benzothiazole
IUPAC Name	2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzothiazole
InChI	InChI=1S/C9H5ClF3NS/c10-4-8-14-6-3-5(9(11,12)13)1-2-7(6)15-8/h1-3H,4H2
InChI Key	VMVSSVCXGNALAH-UHFFFAOYSA-N
MDL Number	MFCD11040746
Molecular Formula	C9H5ClF3NS
Molecular Weight	251.6559
SMILES	ClCC=1SC2=C(N1)C=C(C=C2)C(F)(F)F
Synonyms	110704-50-2, 2-(Chloromethyl)-5-(trifluoromethyl)benzo[d]thiazole, 5-trifluoromethyl-2-chloromethylbenzothiazole, 2-(chloromethyl)-5-(trifluoromethyl)-1,3-benzothiazole, 2-Chloromethyl-5-trifluoromethylbenzothiazole, SCHEMBL359623, CTK6H7221, VMVSSVCXGNALAH-UHFFFAOYSA-N, SBB100998, ZINC34247209, AKOS009292199, AS-68331, 2-(chloromethyl)-5-(trifluoromethyl)benzothiazole, 2-(chloroMethyl)-5-(trifluoroMethyl)-Benzothiazole, 2-CHLOROMETHYL-5-TRIFLUOROMETHYL-BENZOTHIAZOLE, AJ-87632, Benzothiazole, 2-(chloromethyl)-5-(trifluoromethyl)-,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.978332g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.66g/mol
Monoisotopic Mass	250.978332g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number