AG003LDP

Name: 4-Fluoro-3-(trifluoromethoxy)benzoic acid
Brand: Angene Chemical
SKU: AG003LDP

886496-49-7 | 4-Fluoro-3-(trifluoromethoxy)benzoic acid

AG003LDP

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CAS Number	886496-49-7
Catalog Number	AG003LDP(AGN-PC-0VMZDY)
Chemical Name	4-Fluoro-3-(trifluoromethoxy)benzoic acid
IUPAC Name	4-fluoro-3-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4F4O3/c9-5-2-1-4(7(13)14)3-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key	PTPKGMXRSREZFB-UHFFFAOYSA-N
MDL Number	MFCD06660161
Molecular Formula	C8H4F4O3
Molecular Weight	224.1092
SMILES	O=C(O)C1=CC=C(F)C(OC(F)(F)F)=C1
Synonyms	4-Fluoro-3-(trifluoromethoxy)benzoic acid, 886496-49-7, MFCD06660161, SCHEMBL1110964, CTK5G1079, DTXSID30590686, PTPKGMXRSREZFB-UHFFFAOYSA-N, JRD-0727, ZX-AP002967, PC7418, SBB096606, ZINC12359200, AKOS015955990, PS-7792, KS-00003R57, 4-Fluoro-3-trifluoromethoxy-benzoic acid, AJ-61413, AX8258019, RT-009669, Benzoic acid,4-fluoro-3-(trifluoromethoxy)-, CS-0084844, 5-Carboxy-alpha,alpha,alpha,2-tetrafluoroanisole, 4-FLUORO-3- BENZOICACID,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.01g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.111g/mol
Monoisotopic Mass	224.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited