AG0038DF

886498-89-1 | 3-Fluoro-4-(trifluoromethoxy)benzoic acid

AG0038DF

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CAS Number	886498-89-1
Catalog Number	AG0038DF(AGN-PC-0VMZ5K)
Chemical Name	3-Fluoro-4-(trifluoromethoxy)benzoic acid
IUPAC Name	3-fluoro-4-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H4F4O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChI Key	PIBFTHWKVKHHMA-UHFFFAOYSA-N
MDL Number	MFCD00079714
Molecular Formula	C8H4F4O3
Molecular Weight	224.1092
SMILES	FC=1C=C(C(=O)O)C=CC1OC(F)(F)F
Synonyms	3-Fluoro-4-(trifluoromethoxy)benzoic acid, 886498-89-1, 3-Fluoro-4-trifluoromethoxy-benzoic acid, MFCD06660202, AC1MD4CH, SCHEMBL12490198, CTK5G1111, DTXSID30382604, PIBFTHWKVKHHMA-UHFFFAOYSA-N, ACT00819, JRD-1733, ZX-AP000740, ANW-47414, SBB096608, ZINC12359168, AKOS005255289, PC10447, 3-Fluoro-4-trifluoromethoxybenzoic acid, AC-26051, AJ-61400, AK-36745, AS-18591, BR-36745, DA-16957, AX8161302, TC-136159, Benzoic acid,3-fluoro-4-(trifluoromethoxy)-, CS-0084292, FT-0751335, ST24028517, W9150, Benzoic acid, 3-fluoro-4-(trifluoromethoxy)-, A20348, S-4322, 3-Fluoro-4- benzoicacid, C8H4F4O3, ACN-056596, CID2783356, 3-Fluoro-4-(trifluoromethoxy)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

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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