AG0002FT

1006-65-1 | Isoxazole, 3-phenyl-

AG0002FT

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CAS Number	1006-65-1
Catalog Number	AG0002FT(AGN-PC-079KF7)
Chemical Name	Isoxazole, 3-phenyl-
IUPAC Name	3-phenyl-1,2-oxazole
InChI	InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChI Key	ZBRDJMFLJXFIGJ-UHFFFAOYSA-N
MDL Number	MFCD00464218
Molecular Formula	C9H7NO
Molecular Weight	145.1580
SMILES	C1(C2=CC=CC=C2)=NOC=C1
Synonyms	3-Phenylisoxazole, 1006-65-1, Isoxazole, 3-phenyl-, 3-phenyl-1,2-oxazole, ZBRDJMFLJXFIGJ-UHFFFAOYSA-N, phenylisoxazole, 3-phenyl isoxazole, 3-phenyl-isoxazole, ACMC-2097rq, AC1L39AV, SCHEMBL139209, 3-Phenylisoxazole, AldrichCPR, CHEMBL3276979, CTK0H8899, DTXSID60143422, ACT07997, ZINC6116790, ANW-14340, AKOS006271674, CJ-12926, DB-006519, TC-103085, FT-0600229, Z6303, K-0183, C9H7NO, CID136798,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.161g/mol
Monoisotopic Mass	145.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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