AG00CI2O

33852-43-6 | 3-METHOXY-2-NITROACETOPHENONE

AG00CI2O

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CAS Number	33852-43-6
Catalog Number	AG00CI2O(AGN-PC-0JTLYA)
Chemical Name	3-METHOXY-2-NITROACETOPHENONE
IUPAC Name	1-(3-methoxy-2-nitrophenyl)ethanone
InChI	InChI=1S/C9H9NO4/c1-6(11)7-4-3-5-8(14-2)9(7)10(12)13/h3-5H,1-2H3
InChI Key	PVWNRLOVUZOZMF-UHFFFAOYSA-N
MDL Number	MFCD03428535
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	CC(C1=CC=CC(OC)=C1[N+]([O-])=O)=O
Synonyms	33852-43-6, 1-(3-Methoxy-2-nitrophenyl)ethanone, 3'-Methoxy-2'-nitroacetophenone, 3-METHOXY-2-NITROACETOPHENONE, 1-(3-methoxy-2-nitrophenyl)ethan-1-one, PVWNRLOVUZOZMF-UHFFFAOYSA-N, 1-Acetyl-3-methoxy-2-nitrobenzene, AC1LCKYZ, SCHEMBL4869351, 2'-Nitro-3'-methoxyacetophenone, ZINC2585999, 9049AF, MFCD03428535, AKOS006278106, 1-(3-Methoxy-2-nitrophenyl)ethanone #, AJ-43672, AK-67671, DS-16693, Ethanone, 1-(3-methoxy-2-nitrophenyl)-, DB-010823, FT-0710932, K-7774, W-202386, Z2724443533, C9H9NO4, CID602086, tert-Butyl 4-(pyrimidin-2-yl)piperidine-1-carboxylate, 182416-05-3,

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-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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