AG003WWX

891-43-0 | Benzoxazole, 5-nitro-2-phenyl-

AG003WWX

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CAS Number	891-43-0
Catalog Number	AG003WWX(AGN-PC-0JW0CQ)
Chemical Name	Benzoxazole, 5-nitro-2-phenyl-
IUPAC Name	5-nitro-2-phenyl-1,3-benzoxazole
InChI	InChI=1S/C13H8N2O3/c16-15(17)10-6-7-12-11(8-10)14-13(18-12)9-4-2-1-3-5-9/h1-8H
InChI Key	PBRISAFILDFQFS-UHFFFAOYSA-N
MDL Number	MFCD00603147
Molecular Formula	C13H8N2O3
Molecular Weight	240.2142
SMILES	[N+](=O)([O-])C=1C=CC2=C(N=C(O2)C2=CC=CC=C2)C1
Synonyms	5-nitro-2-phenyl-1,3-benzoxazole, 891-43-0, 5-Nitro-2-phenyl-benzooxazole, Benzoxazole, 5-nitro-2-phenyl-, 5-nitro-2-phenylbenzo[d]oxazole, 5-NITRO-2-PHENYLBENZOXAZOLE, AC1LFSYF, CBMicro_021228, 2-phenyl-5-nitrobenzoxazole, Oprea1_504039, MLS000856085, 5-Nitro-2-[phenyl]benzoxazole, CHEMBL391351, SCHEMBL2243126, SCHEMBL14103583, CTK3A0743, DTXSID40353946, CHEBI:105814, PBRISAFILDFQFS-UHFFFAOYSA-N, HMS2689K13, ZINC225940, CCG-8910, MFCD00603147, AKOS000635027, MCULE-8403062252, BAS 00015719, SMR000282830, BIM-0021399.P001, V8766, 5-Nitro-2-phenylbenzo[d]oxazole, AldrichCPR, AE-641/30196036, SR-01000389400, SR-01000389400-1, 5-Nitro-2-phenylbenzooxazole, C13H8N2O3, AIDS339993, CID759401, ACN-041912,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.053g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.218g/mol
Monoisotopic Mass	240.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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