AG0000W5

10009-25-3 | Benzoic acid, 4-(1,1,2,2-tetrafluoroethoxy)-

AG0000W5

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CAS Number	10009-25-3
Catalog Number	AG0000W5(AGN-PC-0KKXOF)
Chemical Name	Benzoic acid, 4-(1,1,2,2-tetrafluoroethoxy)-
IUPAC Name	4-(1,1,2,2-tetrafluoroethoxy)benzoic acid
InChI	InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
InChI Key	SVGWTILJZWYEMD-UHFFFAOYSA-N
MDL Number	MFCD00155926
Molecular Formula	C9H6F4O3
Molecular Weight	238.1358
SMILES	O=C(O)C1=CC=C(OC(F)(F)C(F)F)C=C1
Synonyms	4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid, 10009-25-3, ACMC-20amya, AC1MCR4D, SCHEMBL850939, CTK3J8521, DTXSID80380216, SVGWTILJZWYEMD-UHFFFAOYSA-N, ZINC2530899, ZX-AP002904, MFCD00155926, PC8721, SBB098908, AKOS015852697, PS-7622, CC-16136, SC-65660, TR-000035, FT-0616434, Z6231, 4-(1,1,2,2-tetrafluoro-ethoxy)-benzoic acid, Benzoic acid,4-(1,1,2,2-tetrafluoroethoxy)-, K-0144, Benzoic acid, 4-(1,1,2,2-tetrafluoroethoxy)-, C-14159, 4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid, 97%, J-000038, I01-14690, C9H6F4O3, CID2776639, T3027, 4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid, 97% - 25G 25g,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.025g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.138g/mol
Monoisotopic Mass	238.025g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number