2-Fluoro-4'-methoxy-3'-nitrobenzophenone

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CAS Number

66938-39-4

Synonyms

(2-Fluorophenyl) (4-methoxy-3-nitrophenyl) methan-1-one

MDL Number

MFCD00142923

Purity

=95%

Smiles

COc1ccc(cc1[N+](=O)[O-])C(=O)c2ccccc2F

Chemical Information

(2-Fluorophenyl)(4-methoxy-3-nitrophenyl)methanone

CAS Number	66938-39-4
PubChem CID	736115
IUPAC Name	(2-fluorophenyl)-(4-methoxy-3-nitrophenyl)methanone
Molecular Formula	C14H10FNO4
Molecular Weight	275.23
XLogP	3.2
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	371

SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C14H10FNO4/c1-20-13-7-6-9(8-12(13)16(18)19)14(17)10-4-2-3-5-11(10)15/h2-8H,1H3

InChIKey

UVVKODTXMKKLNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66938-39-4

CID: 736115

Formula: C14H10FNO4

MW: 275.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.23
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	275.05938596
Monoisotopic Mass	275.05938596
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	371
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
OR0578-01	4-Methoxy-4'-nitrobenzophenone
PC3938E	4-Fluoro-4'-nitrobenzophenone
PC1491	4-Chloro-4'-fluoro-3-nitrobenzophenone
PC1371-01	2-Amino-2'-fluoro-5-nitrobenzophenone
PC1484	2'-Fluoro-2-methylamino-5-nitrobenzophenone
OR1011499-01	4-Chloro-3-Nitrobenzophenone
OR350288-01	4-Nitrobenzophenone
OR9685-01	3-Nitrobenzophenone
PC1013623-01	2-fluoro-4-methoxy-3-methylbenzaldehyde
PC1018317-01	3-Fluoro-2-methoxy-4-propoxybenzaldehyde

Catalog	Name
sc-261954	4-Fluoro-4'-nitrobenzophenone
sc-267604	4-Methoxy-4'-nitrobenzophenone
HY-W104076-01	2-Amino-2'-fluoro-5-nitrobenzophenone
425534-01	3-Fluoro-2-methoxy-4-nitroaniline
RG-F122125-01	4-Fluoro-2-Methoxy-3-Nitroaniline
TRC-F589040-1G	4-fluoro-2-methoxy-3-Pyridinecarboxaldehyde
285401-01	4-Nitrobenzophenone
abx188454	4-Chloro-3-Nitrobenzophenone
FH70721-01	4-Hydroxy-3-nitrobenzophenone
sc-233032	4,4'-Dichloro-3-nitrobenzophenone