4-Nitrobenzophenone

CAT: 0127-OR350288-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR350288-02Size:100 g

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CAS Number

1144-74-7

MDL Number

MFCD00007354

Purity

97%

Smiles

[O-][N+](=O)c1ccc(cc1)C(=O)c2ccccc2

Chemical Information

Methanone, (4-nitrophenyl)phenyl-

CAS Number	1144-74-7
PubChem CID	70839
IUPAC Name	(4-nitrophenyl)-phenylmethanone
Molecular Formula	C13H9NO3
Molecular Weight	227.21
XLogP	3.3
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	284

SMILES

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

InChI

InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H

InChIKey

ZYMCBJWUWHHVRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1144-74-7

CID: 70839

Formula: C13H9NO3

MW: 227.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.21
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	227.058243149
Monoisotopic Mass	227.058243149
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	284
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
OR1011499-01	4-Chloro-3-Nitrobenzophenone
OR8622-01	2-Nitrobenzophenone
OR9685-01	3-Nitrobenzophenone
PC1491	4-Chloro-4'-fluoro-3-nitrobenzophenone
PC3702	2-Fluoro-4'-methoxy-3'-nitrobenzophenone
BUP16047	2-Amino-5-nitrobenzophenone
OR1010284-01	2-Amino-5-Nitrobenzophenone
PC1371-01	2-Amino-2'-fluoro-5-nitrobenzophenone
PC1484	2'-Fluoro-2-methylamino-5-nitrobenzophenone
OR5767	2-Amino-2'-chloro-5-nitrobenzophenone

Catalog	Name
285401-01	4-Nitrobenzophenone
sc-261954	4-Fluoro-4'-nitrobenzophenone
N07270-01	4-Nitrobenzophenone 97%
sc-267604	4-Methoxy-4'-nitrobenzophenone
abx188454	4-Chloro-3-Nitrobenzophenone
sc-233032	4,4'-Dichloro-3-nitrobenzophenone
FH70721-01	4-Hydroxy-3-nitrobenzophenone
FA37243	4-Amino-3-nitrobenzophenone
sc-472196	4-Nitrobenzophenone oxime resin
sc-232576	4-Chloro-4'-methyl-3-nitrobenzophenone