3’-Fluoro-4’-methoxy-5’-nitroacetophenone

CAT: 0127-PC502391Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC502391Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

364-27-2

MDL Number

MFCD30830107

Purity

=95%

Smiles

COc1c(F)cc(cc1[N+](=O)[O-])C(=O)C

Chemical Information

3'-Fluoro-4'-methoxy-5'-nitroacetophenone

CAS Number	364-27-2
PubChem CID	154726918
IUPAC Name	1-(3-fluoro-4-methoxy-5-nitrophenyl)ethanone
Molecular Formula	C9H8FNO4
Molecular Weight	213.16
XLogP	1.5
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	265

SMILES

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

InChI

InChI=1S/C9H8FNO4/c1-5(12)6-3-7(10)9(15-2)8(4-6)11(13)14/h3-4H,1-2H3

InChIKey

VSLHAXHPSFINKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 364-27-2

CID: 154726918

Formula: C9H8FNO4

MW: 213.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.16
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	213.04373590
Monoisotopic Mass	213.04373590
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	265
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
PC57820-01	2’-Fluoro-4’-methoxy-5’-nitroacetophenone
PC7172	5-Fluoro-2-methoxy-3-nitroacetophenone
OR26752-01	4'-Methoxy-3'-nitroacetophenone
OR14436-01	3'-Methoxy-4'-nitroacetophenone
PC501417	3'-Fluoro-5'-nitroacetophenone
PC5672-01	4'-Fluoro-3'-nitroacetophenone
PC49649-01	3'-Fluoro-4'-nitroacetophenone
PC1436-01	2, '4'-Dichloro-5'-fluoro-3'-nitroacetophenone
OR929028-01	3-Methoxy-2-nitroacetophenone
PC501577	4'-Bromo-5'-fluoro-2'-nitroacetophenone

Catalog	Name
sc-323485A	5-Fluoro-2-methoxy-3-nitroacetophenone
sc-233122	4'-Methoxy-3'-nitroacetophenone
M08450	4-Methoxy-3-nitroacetophenone
FM67840-01	3-Methoxy-4-nitroacetophenone
433965-01	4'-Fluoro-3'-nitroacetophenone
sc-233114	4'-Fluoro-3'-nitroacetophenone
sc-323451	5-Chloro-2-methoxy-4-methyl-3-nitroacetophenone
sc-321807A	2-Methoxy-5-methyl-3-nitroacetophenone
421156-01	2'-Fluoro-5'-nitroacetophenone
sc-323449	5-Chloro-2-methoxy-3-nitroacetophenone