AG005H73

7064-35-9 | 5-(4-METHYLPHENYL)ISOXAZOLE

AG005H73

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CAS Number	7064-35-9
Catalog Number	AG005H73(AGN-PC-0JO25G)
Chemical Name	5-(4-METHYLPHENYL)ISOXAZOLE
IUPAC Name	5-(4-methylphenyl)-1,2-oxazole
InChI	InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3
InChI Key	BJVLLTZZYAWHGW-UHFFFAOYSA-N
MDL Number	MFCD00030520
Molecular Formula	C10H9NO
Molecular Weight	159.1846
NSC Number	111918
SMILES	CC1=CC=C(C2=CC=NO2)C=C1
Synonyms	5-(4-methylphenyl)isoxazole, 7064-35-9, 5-(4-methylphenyl)-1,2-oxazole, 5-(p-Tolyl)isoxazole, 5-p-Tolylisoxazole, 5-(4-methyl-phenyl)-isoxazole, NSC111918, 5-(p-tolyl)-isoxazole, 5-(p-Tolyl);isoxazole, 4-(Isoxazol-5-yl)toluene, AC1L6NP0, AC1Q4YK9, 5-(4-methylphenyl)-isoxazole, SCHEMBL2556889, 4-(1,2-Oxazol-5-yl)toluene, CTK5D2726, DTXSID90296834, BJVLLTZZYAWHGW-UHFFFAOYSA-N, ZINC158750, 5-(4-methyl-phenyl)-1,2-oxazole, 8486AE, MFCD00030520, SBB087370, AKOS006228801, MCULE-4983842068, NSC-111918, SB21861, KS-0000083E, AJ-15337, AS-34875, DB-015478, TR-040002, CS-0050770, FT-0619666, A-7516, 5- ISOXAZOLE, C10H9NO, AR-1G5335, CID270015, Isoxazole, 5-(4-methylphenyl)- (9CI), 69338-35-8, 71205-46-4,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.188g/mol
Monoisotopic Mass	159.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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