AG00BXKB

37928-17-9 | Isoxazole, 5-​methyl-​3,​4-​diphenyl-

AG00BXKB

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CAS Number	37928-17-9
Catalog Number	AG00BXKB(AGN-PC-0MWW72)
Chemical Name	Isoxazole, 5-​methyl-​3,​4-​diphenyl-
IUPAC Name	5-methyl-3,4-diphenyl-1,2-oxazole
InChI	InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key	ZXIRUKJWLADSJS-UHFFFAOYSA-N
MDL Number	MFCD18449672
Molecular Formula	C16H13NO
Molecular Weight	235.2805
SMILES	Cc1c(c(no1)c1ccccc1)c1ccccc1
Synonyms	5-Methyl-3,4-diphenylisoxazole, 37928-17-9, 5-Methyl-3,4-diphenyl-isoxazole, 5-methyl-3,4-diphenyl-1,2-oxazole, CHEMBL365033, Isoxazole, 5-methyl-3,4-diphenyl-, AK110518, SCHEMBL2277199, 3,4-Diphenyl-5-methylisoxazole, 3,4-diphenyl-5-methyl isoxazole, 3,4-diphenyl-5-methyl-isoxazole, 5-methyl-3,4-diphenyl isoxazole, DTXSID40433813, ZXIRUKJWLADSJS-UHFFFAOYSA-N, Isoxazole, 5-Methyl-3,4-diphenyl- (Parecoxib sodiuM inteMediate), KS-00000PQ9, BDBM50153036, MFCD18449672, ZINC12352313, AKOS016008848, DS-4629, LS40778, VO10067, AC-27060, AJ-61254, AB0035925, AX8226094, 4CH-003245, FT-0690001, M2830, ST24044875, Y0376, D04YPP, C16H13NO, ACN-036172, CID9991673, SC-65822,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.286g/mol
Monoisotopic Mass	235.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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