AG000RRI

1261442-48-1 | Benzaldehyde, 4-chloro-2-(trifluoromethoxy)-

AG000RRI

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CAS Number	1261442-48-1
Catalog Number	AG000RRI(AGN-PC-0WAOVI)
Chemical Name	Benzaldehyde, 4-chloro-2-(trifluoromethoxy)-
IUPAC Name	4-chloro-2-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H4ClF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H
InChI Key	SONFEJGLHKNKEF-UHFFFAOYSA-N
MDL Number	MFCD18393772
Molecular Formula	C8H4ClF3O2
Molecular Weight	224.5644
SMILES	O=CC1=CC=C(Cl)C=C1OC(F)(F)F
Synonyms	4-CHLORO-2-(TRIFLUOROMETHOXY)BENZALDEHYDE, 1261442-48-1, MFCD18393772, SCHEMBL7088703, CL9055, ZINC91251994, AKOS025403433, FCH1371041, AS-46187, PC302319, Benzaldehyde, 4-chloro-2-(trifluoromethoxy)-, X-3633,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.985g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.563g/mol
Monoisotopic Mass	223.985g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

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