AG003MX6

70886-33-8 | 5-Nitrobenzo[d]oxazole

AG003MX6

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CAS Number	70886-33-8
Catalog Number	AG003MX6(AGN-PC-0K5UIR)
Chemical Name	5-Nitrobenzo[d]oxazole
IUPAC Name	5-nitro-1,3-benzoxazole
InChI	InChI=1S/C7H4N2O3/c10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-4H
InChI Key	MNEOLRFGVQZMLA-UHFFFAOYSA-N
MDL Number	MFCD01359855
Molecular Formula	C7H4N2O3
Molecular Weight	164.1183
SMILES	O=[N+](C1=CC=C(OC=N2)C2=C1)[O-]
Synonyms	5-Nitrobenzoxazole, 5-nitro-1,3-benzoxazole, 70886-33-8, 5-nitrobenzo[d]oxazole, Benzoxazole, 5-nitro-, AC1LS4F9, Oprea1_258624, SCHEMBL1607997, CTK2I0755, DTXSID30363251, KS-00000EB5, ZINC1395451, ZX-AT013347, FCH832515, MFCD01359855, SBB055996, AKOS005070820, AB09091, MCULE-1257684569, OR60169, RP10296, TRA0039275, AJ-25578, AK142793, AM804261, CJ-04891, SY018754, AB0050940, AX8104962, DB-074351, TR-023399, FT-0680535, ST50950051, V7417, Z-4492, MFCD01359855 (95+%), 6X-0817, J-517876, I01-12558, C7H4N2O3, ZINC01395451, CID1482180,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.12g/mol
Monoisotopic Mass	164.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number