(3,5-Dichlorophenyl) -4-pyridinylmethanone

CAT: 0127-OR1081837-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081837-01Size:250 mg

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CAS Number

1261883-48-0

MDL Number

MFCD18411521

Purity

95%

Smiles

C (=O) (c1cc (Cl) cc (Cl) c1) c1ccncc1

Chemical Information

(3,5-Dichlorophenyl)-4-pyridinylmethanone

CAS Number	1261883-48-0
PubChem CID	83393137
IUPAC Name	(3,5-dichlorophenyl)-pyridin-4-ylmethanone
Molecular Formula	C12H7Cl2NO
Molecular Weight	252.09
XLogP	3.5
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

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

InChI

InChI=1S/C12H7Cl2NO/c13-10-5-9(6-11(14)7-10)12(16)8-1-3-15-4-2-8/h1-7H

InChIKey

VBGKEXHTGCJSRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261883-48-0

CID: 83393137

Formula: C12H7Cl2NO

MW: 252.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.09
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	250.9904692
Monoisotopic Mass	250.9904692
Topological Polar Surface Area	30 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
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
OR1092027-01	(2,5-Dichlorophenyl) -4-pyridinylmethanone
OR1094780	(3,5-Dichlorophenyl) -2-pyridinylmethanone
OR1093157	(2,4-Dichlorophenyl) -3-pyridinylmethanone
OR1100593-01	(3,5-Dibromophenyl) -4-pyridinylmethanone
OR1095194-01	(3,5-Dimethylphenyl) -4-pyridinylmethanone
PC1009978-01	(3,5-Difluorophenyl) -4-pyridinylmethanone
OR1096645-01	(3-Bromo-5-methylphenyl) -4-pyridinylmethanone
OR1083874-01	(5-Methyl-3-thienyl) -4-pyridinylmethanone
PC1026398-01	(3-Bromo-5-fluorophenyl) -4-pyridinylmethanone
OR1100724-01	(3-Chloro-5-methoxyphenyl) -4-pyridinylmethanone

Catalog	Name
sc-233149	5- (3,4-Dichlorophenyl) furfural
428936-01	4- (3,5-Dichlorophenyl) benzonitrile
sc-284019	4- (3,5-Dichlorophenyl) benzaldehyde
sc-317550	5- (3,4-Dichlorophenyl) isoxazole
sc-336052	4- (3,5-Dichlorophenyl) -4-oxobutyric acid
TGA13566-01	5- (3,4-Dichlorophenyl) -5-oxopentanoic acid
sc-323336	5- (3,4-Dichlorophenyl) -5-oxovaleric acid
TMA25623-01	Methyl 5- (3,4-dichlorophenyl) -1- (3,5-dichlorophenyl) -1H-pyrazole-3-carboxylate
RBA42127	5- (3,4-Dichlorophenyl) -1H-tetrazole
NWC54531-01	(4-Bromo-3,5-dichlorophenyl) methanol