2,4'-Dichlorobenzophenone

CAT: 0926-FD55071-02Size: 1 KgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD55071-02Size:1 Kg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

85-29-0

MDL Number

MFCD00038744

Smiles

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

Molecular Formula

C13H8Cl2O

Molecular Weight

251.11 g/mol

Controlled

Chemical Information

2,4'-Dichlorobenzophenone

CAS Number	85-29-0
PubChem CID	66558
IUPAC Name	(2-chlorophenyl)-(4-chlorophenyl)methanone
Molecular Formula	C13H8Cl2O
Molecular Weight	251.10
XLogP	4.4
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	246

SMILES

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

InChI

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

InChIKey

YXMYPHLWXBXNFF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85-29-0

CID: 66558

Formula: C13H8Cl2O

MW: 251.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.10
XLogP3	4.4
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	246
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
FAA29397	2,2'-dichlorobenzophenone
FA17439-01	2-Amino-2',5-dichlorobenzophenone
FT66823-01	2,2',4,4'-Tetramethylbenzophenone
CAA43779-01	2,2',4,4'-Tetrachlorobiphenyl
FT55663-01	2,2',4,4'-tetrahydroxybenzophenone
LCD08774-01	4,4,4-Trifluoro-2,2-dimethylbutanal
DBA67916-01	Trimethylhexamethylene Diisocyanate (2,2,4- and 2,4,4- mixture)
FT29044-01	2,2':6',2'-Terpyridine-4,4',4''-tricarboxylic acid
UQB34049-01	Ethyl 4- (2,4-dimethylphenyl) -2,4-dioxobutanoate
AAA47241	4- (2,2,4-Trimethylchroman-4-yl) phenol