AG000JF7

1227628-83-2 | Benzaldehyde, 2-fluoro-4-(trifluoromethoxy)-

AG000JF7

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CAS Number	1227628-83-2
Catalog Number	AG000JF7(AGN-PC-09SU5I)
Chemical Name	Benzaldehyde, 2-fluoro-4-(trifluoromethoxy)-
IUPAC Name	2-fluoro-4-(trifluoromethoxy)benzaldehyde
InChI	InChI=1S/C8H4F4O2/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-4H
InChI Key	DEACWPDDLIOZJV-UHFFFAOYSA-N
MDL Number	MFCD16652440
Molecular Formula	C8H4F4O2
Molecular Weight	208.1098
SMILES	O=CC1=CC=C(OC(F)(F)F)C=C1F
Synonyms	2-Fluoro-4-(trifluoromethoxy)benzaldehyde, 1227628-83-2, MFCD16652440, 2-fluoro-4-trifluoromethoxybenzaldehyde, SCHEMBL2366445, DTXSID60703464, KS-00000Z0F, ZINC91251992, AKOS015956502, FCH1346547, AK130186, PC302914, PS-11440, AJ-129214, AX8246529, CS-0084356, Benzaldehyde, 2-fluoro-4-(trifluoromethoxy)-,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.112g/mol
Monoisotopic Mass	208.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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