AG003384

505084-59-3 | 2-Chloro-5-(trifluoromethyl)nicotinic acid

AG003384

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CAS Number	505084-59-3
Catalog Number	AG003384(AGN-PC-0NHWS0)
Chemical Name	2-Chloro-5-(trifluoromethyl)nicotinic acid
IUPAC Name	2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key	RMSKYTKOFDQVEL-UHFFFAOYSA-N
MDL Number	MFCD08741353
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	ClC1=C(C(=O)O)C=C(C=N1)C(F)(F)F
Synonyms	505084-59-3, 2-Chloro-5-(trifluoromethyl)nicotinic acid, 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid, 2-chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid, 2-chloro-5-trifluoromethylnicotinic acid, 2-Chloro-5-trifluoromethyl-nicotinic acid, MFCD08741353, 3-PYRIDINECARBOXYLIC ACID, 2-CHLORO-5-(TRIFLUOROMETHYL)-, AC1Q72VH, KSC269C4J, SCHEMBL1585179, CTK1G9144, KS-00000CTF, DTXSID90478375, RMSKYTKOFDQVEL-UHFFFAOYSA-N, BCP11617, ANW-51752, BBL101067, CC-969, HT1059, SBB052862, STL554861, WT1925, ZINC16159932, AKOS005255973, AB48756, CS-W008174, PS-6917, RP05371, RTC-060051, TRA0037507, AC-25222, AJ-68810, AK-26657, BC675570, BL003417, BR-26657, QC-10139, SC-24752, SY020525, 2-Chloro-5-(trifluoromethyl)nicotinicAcid, AB0004484, DB-011798, ST2409851, TC-060051, TL8003352, 4CH-000922, AM20061266, FT-0649993, FT-0698488, X0095, A-6498, MFCD08741353 (97+%), 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic, A828144, I02-0423, J-508801, 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylicacid, 2-chloro-5-(trifluoromethyl)-3-pyridine carboxylic acid, 3-Pyridinecarboxylicacid, 2-chloro-5-(trifluoromethyl)-, 2-chloranyl-5-(trifluoromethyl)pyridine-3-carboxylic acid, 2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid, 97%, 505084-59-3 2-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid, C7H3ClF3NO2, 2-Chloro-5- -3-pyridinecarboxylicacid, ACN-031616, 2-Chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid, 98% 250mg,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.98g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.551g/mol
Monoisotopic Mass	224.98g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number