AG003NBB

4694-91-1 | 6-Nitro-1,3-benzoxazol-2-ol

AG003NBB

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CAS Number	4694-91-1
Catalog Number	AG003NBB(AGN-PC-0JLRCN)
Chemical Name	6-Nitro-1,3-benzoxazol-2-ol
EC Number	225-157-4
IUPAC Name	6-nitro-3H-1,3-benzoxazol-2-one
InChI	InChI=1S/C7H4N2O4/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChI Key	JGYJZHYTADCWIK-UHFFFAOYSA-N
MDL Number	MFCD00463755
Molecular Formula	C7H4N2O4
Molecular Weight	180.1177
SMILES	O=C1OC2=CC([N+]([O-])=O)=CC=C2N1
Synonyms	4694-91-1, 6-Nitrobenzo[d]oxazol-2(3H)-one, 6-Nitro-2-benzoxazolinone, 6-NITRO BENZOXAZOLINONE, 2(3H)-Benzoxazolone, 6-nitro-, 6-nitro-3H-1,3-benzoxazol-2-one, 6-Nitro-3H-benzooxazol-2-one, 6-nitrobenzoxazolinone, 6-Nitrobenzoxazol-2(3H)-one, 6-Nitrobenzoxazole-2(3H)-one, 6-nitrobenzo[d]oxazol-2-ol, 6-nitro-1,3-benzoxazol-2(3H)-one, 6-Nitrobenzoxazolone, JGYJZHYTADCWIK-UHFFFAOYSA-N, MFCD00463755, 6-Nitrobenzoxazole-2(3H)-one, 97%, 6-NITRO-1,3-BENZOXAZOL-2-OL, 6-nitro-2,3-dihydro-1,3-benzoxazol-2-one, 6-nitro-3-hydrobenzoxazol-2-one, 6-nitro-2(3h)-benzoxazolone, EINECS 225-157-4, 6-Nitro-2-benzoxazolone, 6-Nitrobenzoxazol-2-one, 6-Nitrobenzoxazolin-2-one, AC1L2V6Y, Cambridge id 5108192, ACMC-1AQ12, Oprea1_004325, Oprea1_341701, 2-Benzoxazolinone, 6-nitro-, SCHEMBL217228, AC1Q1Y62, 2(3H)-Benzoxazolone,6-nitro-, DTXSID1063560, CTK4I9645, 2-Hydroxy-6-nitrobenzo[d]oxazole, ACT08330, KS-000018UJ, 6-Nitrobenzo[d]oxazol-2(3H);-one, ANW-30476, SBB067413, STK327649, ZINC18190681, AKOS000511157, AKOS006237854, MCULE-2729517530, VZ35717, AC-14987, AJ-70448, AS-11630, BAS 00281010, BC208410, BP-20274, CJ-15859, SY066100, AB1004071, DB-013310, TC-119221, FT-0656460, ST24045518, ST45009574, EN300-53726, MFCD00463755 (97%), K-9101, 469N911, 694N911, I14-3217, W-109989, 6-Nitro-2(3H)-benzoxazolone; 6-Nitro-2-benzoxazolinone, InChI=1/C7H4N2O4/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10, C7H4N2O4, 6-Nitro-2(3H)-benzoxazalone, C7-H4-N2-O4, CID78419, ZINC00295027, 6-Nitrobenzoxazole-2(3H)-one, 97% - 1G 1g,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.119g/mol
Monoisotopic Mass	180.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	84.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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