3-Nitrobenzophenone

CAT: 0926-FN70456-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FN70456-02Size:100 g

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CAS Number

2243-80-3

MDL Number

MFCD00007257

Smiles

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

Molecular Formula

C13H9NO3

Molecular Weight

227.22 g/mol

Controlled

Chemical Information

3-Nitrobenzophenone

CAS Number	2243-80-3
PubChem CID	75243
IUPAC Name	(3-nitrophenyl)-phenylmethanone
Molecular Formula	C13H9NO3
Molecular Weight	227.21
XLogP	3.1
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	292

SMILES

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

InChI

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

InChIKey

MFYLRNKOXORIPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2243-80-3

CID: 75243

Formula: C13H9NO3

MW: 227.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.21
XLogP3	3.1
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	292
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
FN29146-01	4-Nitrobenzophenone
FA17471-01	2-Amino-5-nitrobenzophenone
FC70741-01	2-Chloro-5-nitrobenzophenone
PXB71861-01	5-Amino-2-nitrobenzophenone-d5
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea

Catalog	Name
OR9685-01	3-Nitrobenzophenone
abx188454	4-Chloro-3-Nitrobenzophenone
260226-01	4-Amino-3-nitrobenzophenone
285401-01	4-Nitrobenzophenone
OR8622-01	2-Nitrobenzophenone
sc-233032	4,4'-Dichloro-3-nitrobenzophenone
sc-232576	4-Chloro-4'-methyl-3-nitrobenzophenone
N07270-01	4-Nitrobenzophenone 97%
PC1491	4-Chloro-4'-fluoro-3-nitrobenzophenone
PC3702	2-Fluoro-4'-methoxy-3'-nitrobenzophenone