AG0028G8

202821-81-6 | 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-

AG0028G8

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CAS Number	202821-81-6
Catalog Number	AG0028G8(AGN-PC-0N51QR)
Chemical Name	1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-
IUPAC Name	3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
InChI	InChI=1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
InChI Key	QKOWACXSXTXRKA-UHFFFAOYSA-N
MDL Number	MFCD00083578
Molecular Formula	C16H10ClF3N2O3
Molecular Weight	370.7104
SMILES	C(n1nc(oc1=O)c1ccc(cc1)C(F)(F)F)c1c(O)ccc(c1)Cl
UNII	LW7MXS978N
Synonyms	3-((5-chloro-2-hydroxyphenyl)methyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one, BMS 191011, BMS-191011, BMS191011, 202821-81-6, 3-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one, BMS 191011, BMS-191011, UNII-LW7MXS978N, LW7MXS978N, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2(3H)-one, 3-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)-phenyl)-1,3,4-oxadiazol-2(3H)-one, Bms-a, 1,3,4-Oxadiazol-2(3H)-one, 3-((5-chloro-2-hydroxyphenyl)methyl)-5-(4-(trifluoromethyl)phenyl)-, QKOWACXSXTXRKA-UHFFFAOYSA-N, 1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-, CHEMBL45349, SCHEMBL5752911, CHEBI:93672, CTK8B6571, AOB1942, DTXSID70174141, SYN5057, HMS3269L09, HMS3677P11, ZINC1489679, ANW-53680, MFCD09753285, AKOS015998625, NCGC00167822-01, AJ-26336, AK-57117, AS-16423, AB0032955, AX8216997, HY-108593, RT-011574, B7146, ST24022584, X6399, J-013172, BRD-K95609758-001-01-1, 3-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol- 2(3H)-one, C16H10ClF3N2O3, CB11273, CID10474339, 3-[ METHYL]-5-[4- PHENYL]-1,3,4-OXADIAZOL-2 -ONE, 3-[(5-chloro-2-hydroxy-phenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one,

Complexity	535
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	370.033g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	370.712g/mol
Monoisotopic Mass	370.033g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H413
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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