AG008089

13382-61-1 | 4-(4-Nitrophenyl)oxazole

AG008089

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CAS Number	13382-61-1
Catalog Number	AG008089(AGN-PC-001TXJ)
Chemical Name	4-(4-Nitrophenyl)oxazole
IUPAC Name	4-(4-nitrophenyl)-1,3-oxazole
InChI	InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-14-6-10-9/h1-6H
InChI Key	STSISQMFQWBGLZ-UHFFFAOYSA-N
MDL Number	MFCD09032979
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
SMILES	O=[N+](C1=CC=C(C2=COC=N2)C=C1)[O-]
Synonyms	4-(4-nitrophenyl)oxazole, 13382-61-1, 4-(4-nitrophenyl)-1,3-oxazole, 4-(1,3-Oxazole-4-yl)nitro-benzene, Oxazole, 4-(4-nitrophenyl)-, 4-(1,3-Oxazole-4-yl)nitro-benzene(OZNB), AK-58150, oznb, 4-(4-nitro-phenyl)-oxazole, Oxazole,4-(4-nitrophenyl)-, SCHEMBL1647496, CTK4B8821, 4-(4-nitrophenyl)-1,3-oxazol, DTXSID60561723, STSISQMFQWBGLZ-UHFFFAOYSA-N, 4-(1,3-oxazol-4-yl)nitro-benzene, ANW-64223, CO-040, FCH864493, MFCD09032979, ZINC22000321, AKOS006331500, RP24978, AJ-80083, BC219637, BR-58150, CJ-17185, DS-16067, I612, SC-91594, 4-(1,3-OXAZOLE-4-YL)NITROBENZENE, AB0013785, AX8018087, TC-152968, 4CH-009532, ST24028777, S-5432, 382O611, A806686, J-513562, I14-36709, C9H6N2O3,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.158g/mol
Monoisotopic Mass	190.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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