AG00C76N

38233-47-5 | 2,3,4-Trifluoro-5-methoxybenzoic acid

AG00C76N

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CAS Number	38233-47-5
Catalog Number	AG00C76N(AGN-PC-03IKKC)
Chemical Name	2,3,4-Trifluoro-5-methoxybenzoic acid
IUPAC Name	2,3,4-trifluoro-5-methoxybenzoic acid
InChI	InChI=1S/C8H5F3O3/c1-14-4-2-3(8(12)13)5(9)7(11)6(4)10/h2H,1H3,(H,12,13)
InChI Key	CGMSFYATZQKRJY-UHFFFAOYSA-N
MDL Number	MFCD11973916
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	COC1=CC(C(O)=O)=C(F)C(F)=C1F
Synonyms	2,3,4-TRIFLUORO-5-METHOXYBENZOIC ACID, 38233-47-5, 5-Methoxy-2,3,4-trifluorobenzoic acid, 2,3,4-trifluoro-5-methoxy benzoic acid, PubChem9790, PubChem24326, SCHEMBL4518427, CTK6J5240, DTXSID20621054, CGMSFYATZQKRJY-UHFFFAOYSA-N, ACT09579, BCP05152, ANW-57837, MFCD11973916, TD1004, ZINC40448428, AKOS015951065, AS06825, CM12842, FCH1408695, LS00035, QC-3447, XF10099, ACM38233475, 2,3,4-Trifluoro-5-methoxy-benzoic acid, AS-54697, BC670880, PC408063, SC-22007, AB0043868, AB1007439, AJ-102717, AX8157665, DB-069653, TC-146582, 4CH-021364, CS-0035498, FT-0648022, ST24038472, Z1828, A20003, S-8086, null, C8H5F3O3, 2,3,4-Trifluoro-5-methoxybenzoicacid,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.12g/mol
Monoisotopic Mass	206.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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