AG007AJ4

169507-61-3 | 2,4,5-Trifluoro-3-ethoxybenzoic acid

AG007AJ4

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CAS Number	169507-61-3
Catalog Number	AG007AJ4(AGN-PC-0Q9H1M)
Chemical Name	2,4,5-Trifluoro-3-ethoxybenzoic acid
IUPAC Name	3-ethoxy-2,4,5-trifluorobenzoic acid
InChI	InChI=1S/C9H7F3O3/c1-2-15-8-6(11)4(9(13)14)3-5(10)7(8)12/h3H,2H2,1H3,(H,13,14)
InChI Key	HXAPHOPNZQFBEJ-UHFFFAOYSA-N
MDL Number	MFCD29078380
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	CCOC1=C(F)C(F)=CC(C(O)=O)=C1F
Synonyms	169507-61-3, 2,4,5-Trifluoro-3-ethoxybenzoic acid, 2,4,5-Trifluoro-3-ethoxy benzoic acid, 3-ETHOXY-2,4,5-TRIFLUOROBENZOIC ACID, 3-ethoxy-2,4,5-trifluoro-benzoic Acid, 2,4,5-TRIFLUORO-3-ETHYLBENZOIC ACID, AK-33637, PubChem4579, Intermediates-ZCF02263, SCHEMBL8593509, CTK4D3312, KS-00000MLT, DTXSID90442773, HXAPHOPNZQFBEJ-UHFFFAOYSA-N, ACT09588, ANW-56499, CT-551, MFCD08459286, ZINC34781182, AKOS015890079, 2,3,4-trifluoro-3-ethoxybenzoic acid, AC-4011, AS01910, CM12708, AJ-90150, AN-12420, Benzoic acid,3-ethoxy-2,4,5-trifluoro-, DS-12484, SC-22008, benzoic acid, 3-ethoxy-2,4,5-trifluoro-, AX8066096, TC-145244, 2,4,5-TRIFLUORO-3-ETHOXYBENZOICACID, CS-0061635, FT-0655122, ST24038574, Z1813, A20082, S-8006, I01-4647, C9H7F3O3, CID10632694,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.147g/mol
Monoisotopic Mass	220.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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