4.4'-Dichlorobenzophenone For Synthesis

CAT: 1442-1041000 100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1442-1041000 100Size:100 mg

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CAS Number

90-98-2

Molecular Formula

(ClC6H4) 2CO

Molecular Weight

251.11

HSN Code

29143990

Chemical Information

4,4'-Dichlorobenzophenone

4-4-Dichlorobenzophenone is a member of benzophenones.

CAS Number	90-98-2
PubChem CID	7034
IUPAC Name	bis(4-chlorophenyl)methanone
Molecular Formula	C13H8Cl2O
Molecular Weight	251.10
XLogP	4.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	214

SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

InChIKey

OKISUZLXOYGIFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90-98-2

CID: 7034

Formula: C13H8Cl2O

MW: 251.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.10
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	249.9952203
Monoisotopic Mass	249.9952203
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
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
1041090 250	4,4'-Difluorobenzophenone For Synthesis
114650 250	4-Nitroacetophenone For Synthesis
108520 25	4-Hydroxypyridine For Synthesis
108410 500	4-Hydroxybenzaldehyde For Synthesis
1131380 100	4'-Methylacetophenone For Synthesis
113690 50	4-Methoxyphenylacetone For Synthesis
103750 500	4-Chlorobenzophenone For Synthesis
1021700 500	4-Bromophenol For Synthesis
1131380 500	4'-Methylacetophenone For Synthesis
113690 10	4-Methoxyphenylacetone For Synthesis

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