AG003B82

886497-85-4 | 2-fluoro-5-(trifluoromethoxy)benzoic acid

AG003B82

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CAS Number	886497-85-4
Catalog Number	AG003B82(AGN-PC-0VMZXK)
Chemical Name	2-fluoro-5-(trifluoromethoxy)benzoic acid
IUPAC Name	2-fluoro-5-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4F4O3/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChI Key	CSMVUVGPLMTFIZ-UHFFFAOYSA-N
MDL Number	MFCD04115887
Molecular Formula	C8H4F4O3
Molecular Weight	224.1092
SMILES	O=C(O)C1=CC(OC(F)(F)F)=CC=C1F
Synonyms	2-Fluoro-5-(trifluoromethoxy)benzoic acid, 886497-85-4, MFCD04115887, PubChem4757, AC1MY7UE, 2-FLUORO-5-(TRIFLUOROMETHOXY)BENZOICACID, SCHEMBL1697975, CTK5G1099, DTXSID50397336, CSMVUVGPLMTFIZ-UHFFFAOYSA-N, JRD-1402, KS-00000N1L, ZINC2527810, ZX-AP012341, 4526AC, ANW-60158, BBL101749, PC5896, SBB096607, STL555546, AKOS008901301, AM62558, 2-Fluoro-5-trifluoromethoxy-benzoic acid, AJ-38159, AK-36743, DS-12987, SC-90076, AX8074932, RT-007779, 4CH-021601, Benzoic acid,2-fluoro-5-(trifluoromethoxy)-, FT-0687153, ST24040609, A20346, 2-Fluoro-5- benzoicAcid, C8H4F4O3, CID3852520,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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