AG002O3U

236736-23-5 | 4-Oxazolecarboxylic acid, 2-phenyl-5-(trifluoromethyl)-

AG002O3U

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CAS Number	236736-23-5
Catalog Number	AG002O3U(AGN-PC-0KKXJ7)
Chemical Name	4-Oxazolecarboxylic acid, 2-phenyl-5-(trifluoromethyl)-
IUPAC Name	2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
InChI	InChI=1S/C11H6F3NO3/c12-11(13,14)8-7(10(16)17)15-9(18-8)6-4-2-1-3-5-6/h1-5H,(H,16,17)
InChI Key	PYCFLCQAJFEELT-UHFFFAOYSA-N
MDL Number	MFCD00203251
Molecular Formula	C11H6F3NO3
Molecular Weight	257.1654
SMILES	OC(=O)C1=C(OC(=N1)C1=CC=CC=C1)C(F)(F)F
Synonyms	236736-23-5, 2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid, 2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid, 2-phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acid, 2-phenyl-5-trifluoromethyloxazole-4-carboxylic acid, 2-PHENYL-5-(TRIFLUOROMETHYL)-OXAZOLE-4-ACARBOXYLIC ACID, Peakdale1_000411, AC1MCQZ0, AC1Q72IW, SCHEMBL164119, CTK1A0331, HMS519C15, KS-00003QSC, DTXSID00380076, PYCFLCQAJFEELT-UHFFFAOYSA-N, ZINC154256, ZX-AP000629, 1624AB, MFCD00203251, PC2355, SBB053179, AKOS015840534, ACN-025284, PS-6460, ACM236736235, AJ-13184, AK110330, SC-51018, AX8223579, ST2404537, TR-010977, 4CH-018673, FT-0676493, Y-8893, 2-phenyl-trifluoromethyl-oxazole-4-carboxylic acid, A816485, SR-01000385244, I04-4315, SR-01000385244-1, 2-phenyl-5-(trifluoromethyl)-4-oxazolecarboxylic acid, 2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid, 4-Carboxy-2-phenyl-5-(trifluoromethyl)-1,3-oxazole, 4-Oxazolecarboxylic acid, 2-phenyl-5-(trifluoromethyl)-, 4-Oxazolecarboxylicacid, 2-phenyl-5-(trifluoromethyl)-, 2-PHENYL-5-(TRIFLUOROMETHYL)OXAZOLE-4-CARBOXYLIC A, 2-PHENYL-5-(TRIFLUOROMETHYL)-OXAZOLE-4-CARBOXYLICACID, 2-phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid, AldrichCPR, C11H6F3NO3, CID2776438, 2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylicacid, 23012-25-1,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.03g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	257.168g/mol
Monoisotopic Mass	257.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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