4-Chloro-4'-nitrobenzophenone

CAT: 0127-OR2920-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR2920-01Size:1 g

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CAS Number

7497-60-1

MDL Number

MFCD00047743

Purity

95%

Smiles

[O-][N+](=O)c1ccc(cc1)C(=O)c2ccc(Cl)cc2

Chemical Information

4-Chloro-4'-nitrobenzophenone

CAS Number	7497-60-1
PubChem CID	347771
IUPAC Name	(4-chlorophenyl)-(4-nitrophenyl)methanone
Molecular Formula	C13H8ClNO3
Molecular Weight	261.66
XLogP	3.7
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	313

SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClNO3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)15(17)18/h1-8H

InChIKey

CLFRUWPJQKSRRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7497-60-1

CID: 347771

Formula: C13H8ClNO3

MW: 261.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.66
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	261.0192708
Monoisotopic Mass	261.0192708
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	313
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
PC1491	4-Chloro-4'-fluoro-3-nitrobenzophenone
OR350288-01	4-Nitrobenzophenone
PC3938E	4-Fluoro-4'-nitrobenzophenone
OR0578-01	4-Methoxy-4'-nitrobenzophenone
OR5767	2-Amino-2'-chloro-5-nitrobenzophenone
OR8622-01	2-Nitrobenzophenone
OR9685-01	3-Nitrobenzophenone
PC3702	2-Fluoro-4'-methoxy-3'-nitrobenzophenone
BUP16047	2-Amino-5-nitrobenzophenone

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