AG000PV9

119934-12-2 | Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-

AG000PV9

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CAS Number	119934-12-2
Catalog Number	AG000PV9(AGN-PC-0MWWZ1)
Chemical Name	Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-
IUPAC Name	1-iodo-3-(trifluoromethyl)bicyclo[1.1.1]pentane
InChI	InChI=1S/C6H6F3I/c7-6(8,9)4-1-5(10,2-4)3-4/h1-3H2
InChI Key	HUDKTQZFLROHKK-UHFFFAOYSA-N
MDL Number	MFCD30723932
Molecular Formula	C6H6F3I
Molecular Weight	262.0115
SMILES	FC(C12CC(C2)(I)C1)(F)F
Synonyms	119934-12-2, Bicyclo[1.1.1]pentane, 1-iodo-3-(trifluoromethyl)-, 1-iodo-3-(trifluoromethyl)bicyclo[1.1.1]pentane, ACMC-20momy, 3-iodo-1-(trifluoromethyl)bicyclo[1.1.1]pentane, SCHEMBL17582432, CTK0C4055, DTXSID30433862, AKOS024255983, ZINC136554779, SB22181, CS-0056910, 1-(Trifluoromethyl)-3-iodobicyclo[1.1.1]pentane, Bicyclo[1.1.1]entane, 1-odo-3-(trifluoromethyl)-, CID9992849,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.947g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.014g/mol
Monoisotopic Mass	261.947g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H228-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P405-P501
UN Code	UN 1325

Certificate of Analysis

Lot Number