AG0039P7

278779-30-9 | 3-[2-[2-Chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid

AG0039P7

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CAS Number	278779-30-9
Catalog Number	AG0039P7(AGN-PC-076OBP)
Chemical Name	3-[2-[2-Chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid
IUPAC Name	3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid
InChI	InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
InChI Key	BYTNEISLBIENSA-MDZDMXLPSA-N
MDL Number	MFCD09971006
Molecular Formula	C28H22Cl3NO4
Molecular Weight	542.8376
SMILES	ClC1=C(C=CC(=C1)OCC=1C(=NOC1C(C)C)C1=C(C=CC=C1Cl)Cl)C=CC=1C=C(C(=O)O)C=CC1
UNII	SR225WUZ0H
Synonyms	GW 4064, GW-4064, GW4064, GW 4064, 278779-30-9, GW4064, GW-4064, UNII-SR225WUZ0H, (E)-3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid, GW-4064X, 1089660-72-9, SR225WUZ0H, CHEMBL318457, CHEBI:79997, MFCD09971006, 3-[(E)-2-(2-Chloro-4-{[3-(2,6-Dichlorophenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)ethenyl]benzoic Acid, 3-[2-[2-Chloro-4-[[3-(2,6-Dichlorophenyl)-5-(1-Methylethyl)-4-Isoxazolyl]Methoxy]Phenyl]Ethenyl]Benzoic Acid, 3-[2-[2-chloro-4-[3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-ylmethoxy]phenyl]vinyl]benzoic acid, Benzoic acid, 3-(2-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl)methoxy)phenyl)ethenyl)-, 3-(2,6-Dichlorophenyl)-4-(3'-carboxy-2-chlorostilben-4-yl)oxymethyl-5-isopropylisoxazole, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, 3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid, Benzoic acid, 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]-, 3dct, C412815, C28H22Cl3NO4, MLS006011231, GTPL2743, SCHEMBL3996233, BDBM21724, CHEBI:93125, DTXSID20182175, HMS3677B05, ACT06548, EBD19276, EX-A1383, ZINC1548806, s2782, AKOS005146035, API0000585, BCP9000747, CS-0304, EX-8455, RL02941, RTC-063047, SB19598, NCGC00167739-01, NCGC00167739-02, 3-[2-[2-Chloro-4-[[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]-benzoic Acid, AN-16513, BC252428, HY-50108, SMR004702991, BCP0726000129, DB-018043, GW4064, >=97% (HPLC), TC-063047, SW203830-2, Y0391, EC-000.2402, C15635, W-5439, 779G309, I06-2246, J-016908, J-519753, BRD-K64245000-001-01-7, BRD-K88186167-001-01-4, 3-(2,6-Dichlorophenyl)-4-(3-carboxy-2-chlorostilben-4-yl)oxymethyl-5-isopropylisoxazole, 3-(2,6-Dichlorophenyl)-4-(3 inverted exclamation mark -carboxy-2-chlorostilben-4-yl)oxymethyl-5-isopropylisoxazole, 3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]phenyl]vinyl]benzoic acid, GW 4064,3-[2-[2-Chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoicacid, D00UQF, cc-314, BYTNEISLBIENSA-MDZDMXLPSA-N, CID9893571, B1527, A11141, A15107, 20554-84-1, GW 4064; 3-(2,6-Dichlorophenyl)-4-(3'-carboxy-2-chlorostilben-4-yl)oxymethyl-5-isopropylisoxazole,

Complexity	742
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	541.061g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	542.837g/mol
Monoisotopic Mass	541.061g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H413
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number