AG003B3N

654-87-5 | 2,3,5-Trifluorobenzoic acid

AG003B3N

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CAS Number	654-87-5
Catalog Number	AG003B3N(AGN-PC-0KKXX4)
Chemical Name	2,3,5-Trifluorobenzoic acid
IUPAC Name	2,3,5-trifluorobenzoic acid
InChI	InChI=1S/C7H3F3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChI Key	CPZROMDDCPPFOO-UHFFFAOYSA-N
MDL Number	MFCD00061200
Molecular Formula	C7H3F3O2
Molecular Weight	176.0927
SMILES	OC(=O)C1=C(F)C(F)=CC(F)=C1
Synonyms	2,3,5-Trifluorobenzoic acid, 654-87-5, MFCD00061200, 2,3,5-Trilfluorobenzoic acid, Benzoic acid, 2,3,5-trifluoro-, PubChem1401, AC1MCRDL, ACMC-209nr1, KSC622O6J, 2,3,5-Trifluoro-benzoic acid, SCHEMBL1421628, RARECHEM AL BO 0710, Benzoic acid,2,3,5-trifluoro-, CPZROMDDCPPFOO-UHFFFAOYSA-, CTK5C2764, DTXSID90380323, CPZROMDDCPPFOO-UHFFFAOYSA-N, AC1Q7314, ACT12076, JRD-0392, ZINC4290160, ANW-35051, CT-549, SBB064033, AKOS006230004, AC-4006, AS01905, CM12874, JS-4108, VZ22157, KS-0000111G, 2,3,5-Trifluorobenzoic acid, AldrichCPR, AJ-50300, AN-12415, N560, DB-019679, TR-022284, FT-0609451, ST24038487, T2385, A20078, Y-9605, I01-3743, InChI=1/C7H3F3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12), 2,3,5-Trifluorobenzoicacid, C7H3F3O2, ACN-056586, CID2776991, SC-58125,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.094g/mol
Monoisotopic Mass	176.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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
UN Code

Certificate of Analysis

Lot Number