AG000YEN

128790-14-7 | Pyridine, 2-(chloromethyl)-5-(trifluoromethyl)-

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CAS Number	128790-14-7
Catalog Number	AG000YEN(AGN-PC-01UYF9)
Chemical Name	Pyridine, 2-(chloromethyl)-5-(trifluoromethyl)-
IUPAC Name	2-(chloromethyl)-5-(trifluoromethyl)pyridine
InChI	InChI=1S/C7H5ClF3N/c8-3-6-2-1-5(4-12-6)7(9,10)11/h1-2,4H,3H2
InChI Key	XOVKMILMYFEUMK-UHFFFAOYSA-N
MDL Number	MFCD10697590
Molecular Formula	C7H5ClF3N
Molecular Weight	195.5695
SMILES	FC(F)(F)C1=CN=C(CCl)C=C1
Synonyms	2-(CHLOROMETHYL)-5-(TRIFLUOROMETHYL)PYRIDINE, 128790-14-7, Pyridine, 2-(chloromethyl)-5-(trifluoromethyl)-, 2-chloromethyl-5-(trifluoromethyl)pyridine, 5-trifluoromethyl-pyridin-2-ylmethyl chloride, ACMC-1C5N8, SCHEMBL2303966, CTK0F6121, DTXSID60593105, XOVKMILMYFEUMK-UHFFFAOYSA-N, 5442AA, ANW-56966, MFCD10697590, ZINC82046566, AKOS006304374, AB60004, AS-50726, QC-11470, SC-26256, AJ-124261, TC-145711, CS-0018914, ST24021857, C7H5ClF3N,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.006g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.569g/mol
Monoisotopic Mass	195.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

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