AG00BD4B

22106-39-4 | 3-Methoxy-4-nitroacetophenone

AG00BD4B

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CAS Number	22106-39-4
Catalog Number	AG00BD4B(AGN-PC-00DZX7)
Chemical Name	3-Methoxy-4-nitroacetophenone
IUPAC Name	1-(3-methoxy-4-nitrophenyl)ethanone
InChI	InChI=1S/C9H9NO4/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2/h3-5H,1-2H3
InChI Key	QGZZCBCLSMAVSE-UHFFFAOYSA-N
MDL Number	MFCD00075788
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	COC1=C(C=CC(=C1)C(C)=O)[N+]([O-])=O
Synonyms	22106-39-4, 1-(3-methoxy-4-nitrophenyl)ethanone, 3-METHOXY-4-NITROACETOPHENONE, 1-(3-Methoxy-4-Nitrophenyl)-1-Ethanone, 1-(3-methoxy-4-nitro-phenyl)ethanone, 1-(3-methoxy-4-nitrophenyl)ethan-1-one, 3'-Methoxy-4'-nitroacetophenone, Ethanone,1-(3-methoxy-4-nitrophenyl)-, 4-Acetyl-2-methoxynitrobenzene, methoxynitrophenylethanone, 5-Acetyl-2-nitroanisole, SCHEMBL2946181, CTK4E8607, DTXSID10470492, JS-119C, QGZZCBCLSMAVSE-UHFFFAOYSA-N, 3'-Methoxy-4'-nitro-acetophenone, 1-acetyl-3-methoxy-4-nitrobenzene, ZINC2545418, 1205AB, ANW-55041, MFCD00075788, SBB091844, AKOS005073025, AN-5888, AS05205, MCULE-7872659006, RP11504, VZ27024, KS-000026W6, AJ-39315, SC-68701, TR-010408, FT-0638188, ST24037252, K-6266, A815929, J-503154, I14-28970, C9H9NO4, CID11679990,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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