AG003NBG

610-93-5 | 6-Nitroisobenzofuran-1(3H)-one

AG003NBG

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CAS Number	610-93-5
Catalog Number	AG003NBG(AGN-PC-0JNCBP)
Chemical Name	6-Nitroisobenzofuran-1(3H)-one
IUPAC Name	6-nitro-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2
InChI Key	RNWGZXAHUPFXLL-UHFFFAOYSA-N
MDL Number	MFCD00454210
Molecular Formula	C8H5NO4
Molecular Weight	179.1296
NSC Number	11332
SMILES	O=C1OCC2=C1C=C([N+]([O-])=O)C=C2
Synonyms	6-Nitrophthalide, 610-93-5, 6-Nitroisobenzofuran-1(3H)-one, 6-Nitro-3H-isobenzofuran-1-one, 6-nitro-1,3-dihydroisobenzofuran-1-one, 6-nitro-1(3H)-isobenzofuranone, 6-Nitro-2-benzofuran-1(3H)-one, 1(3H)-Isobenzofuranone, 6-nitro-, MLS002638203, 6-nitro-3H-2-benzofuran-1-one, RNWGZXAHUPFXLL-UHFFFAOYSA-N, 6-nitro-3-hydroisobenzofuran-1-one, MFCD00033529, 6-nitro-1,3-dihydro-2-benzofuran-1-one, 6-nitrophtalide, 6-Nitro-phthalid, NSC11332, 4-Oxiranylmethylphenol, PubChem22515, ACMC-1AWLE, AC1Q1YTO, Maybridge1_005101, 6-Nitrophthalide, 95%, AC1L5CO6, KSC492O4D, SCHEMBL1684401, CHEMBL2144021, CTK3J2741, HMS555P19, BUTTPARK 33\04-92, 6-nitroisobenzofuran-1-(3H)-one, HMS3078N11, ZINC161476, 4Et2OHbicycloNo2,6diene4carboxylate, 6-Nitro-3H-isobenzo[b]furan-1-one, ANW-50650, BBL027915, CCG-51603, NSC-11332, SBB067720, STK865112, 6-Nitro-2-benzofuran-1(3H)-one #, AKOS000278155, AS-5160, AS06464, CM10839, CS-W017285, LS11801, MCULE-5838156245, RP03138, RTR-021049, TRA0064307, VZ30836, KS-00000C96, AJ-15750, AK-39908, BP-11369, CJ-01972, SC-66202, SMR001547692, SY021140, ZB007591, AB0001802, DB-023075, ST2412471, TR-021049, 4CH-014515, AM20060448, EU-0066960, FT-0621276, N1055, ST50210585, TL80090918, W7339, M-6711, Z-8095, MFCD00033529 (97+%), SR-01000390720, I14-5032, J-518960, J-640455, J-800291, SR-01000390720-1, SR-01000390720-2, InChI=1/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H, C8H5NO4, AR-1H2392, CID223584, 66492-86-2,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.131g/mol
Monoisotopic Mass	179.022g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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