3-Methoxy-4-nitroacetophenone

CAT: 0926-FM67840-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FM67840-02Size:5 g

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CAS Number

22106-39-4

Synonyms

1- (3-Methoxy-4-nitrophenyl) -1-ethanone

MDL Number

MFCD00075788

Smiles

CC (=O) C1=CC (=C (C=C1) [N+] (=O) [O-]) OC

Molecular Formula

C9H9NO4

Molecular Weight

195.17 g/mol

Controlled

Chemical Information

1-(3-Methoxy-4-nitrophenyl)ethan-1-one

CAS Number	22106-39-4
PubChem CID	11679990
IUPAC Name	1-(3-methoxy-4-nitrophenyl)ethanone
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	1.4
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	235

SMILES

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C9H9NO4/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2/h3-5H,1-2H3

InChIKey

QGZZCBCLSMAVSE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22106-39-4

CID: 11679990

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM11977-01	3-Methoxy-2-nitroacetophenone
FA11486-01	4-Amino-3-nitroacetophenone
FH24225-01	4'-Hydroxy-3'-nitroacetophenone
FC54339-01	4-Chloro-3-nitroacetophenone
FB54340-01	4-Bromo-3-nitroacetophenone
FB18454-01	4'-Benzyloxy-3'-nitroacetophenone
FN03712-01	4-Nitroacetophenone
FN01003	3-Nitroacetophenone
FD70399-01	3',4'-Dimethoxy-6'-nitroacetophenone
FB170753-01	4-Bromo-3-nitroacetophenone - 90%

Catalog	Name
OR26752-01	4'-Methoxy-3'-nitroacetophenone
OR14436-01	3'-Methoxy-4'-nitroacetophenone
M08450	4-Methoxy-3-nitroacetophenone
PC502391	3’-Fluoro-4’-methoxy-5’-nitroacetophenone
OR929028-01	3-Methoxy-2-nitroacetophenone
sc-323451	5-Chloro-2-methoxy-4-methyl-3-nitroacetophenone
PC57820-01	2’-Fluoro-4’-methoxy-5’-nitroacetophenone
sc-321807A	2-Methoxy-5-methyl-3-nitroacetophenone
PC7172	5-Fluoro-2-methoxy-3-nitroacetophenone
sc-323449	5-Chloro-2-methoxy-3-nitroacetophenone