AG00I5AL

28177-69-7 | Ethanone, 1-(2-hydroxy-3-nitrophenyl)-

AG00I5AL

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CAS Number	28177-69-7
Catalog Number	AG00I5AL(AGN-PC-0JO25P)
Chemical Name	Ethanone, 1-(2-hydroxy-3-nitrophenyl)-
IUPAC Name	1-(2-hydroxy-3-nitrophenyl)ethanone
InChI	InChI=1S/C8H7NO4/c1-5(10)6-3-2-4-7(8(6)11)9(12)13/h2-4,11H,1H3
InChI Key	XQZGSPSZLMKODN-UHFFFAOYSA-N
MDL Number	MFCD02683784
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	111935
SMILES	CC(C1=CC=CC([N+]([O-])=O)=C1O)=O
Synonyms	1-(2-hydroxy-3-nitrophenyl)ethanone, 28177-69-7, 2-Hydroxy-3-nitroacetophenone, 1-(2-hydroxy-3-nitro-phenyl)-ethanone, 2'-hydroxy-3'-nitroacetophenone, Ethanone, 1-(2-hydroxy-3-nitrophenyl)-, 1-(2-hydroxy-3-nitrophenyl)ethan-1-one, AK-86643, NSC111935, PubChem23494, AC1L6NPR, AC1Q5ATR, SCHEMBL312392, 2-Hydroxy-3-nitro-acetophenon, 2-hydroxy-3-nitro acetophenone, CTK4G0975, DTXSID30296838, XQZGSPSZLMKODN-UHFFFAOYSA-N, ACT09476, ZINC1703431, ANW-46582, CH-589, FCH846402, MFCD02683784, AKOS005144957, 1-(2-hydroxy-3-nitro-phenyl)ethanone, 1-(2-Hydroxy-3-nitrophenyl)-ethanone, AC-9298, AN-7173, AS06502, CM10101, NSC-111935, WT82280, Ethanone,1-(2-hydroxy-3-nitrophenyl)-, AJ-30556, DS-18202, SC-44568, AB0006018, AX8028256, DB-011792, ST2414956, TC-135327, 4CH-016150, CS-0058405, FT-0690616, W5104, X-2830, 177H697, I01-7591, C8H7NO4, KST-1B2681, AR-1B0898, CID270026, A13755, 2840-40-6,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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