LCS-1

CAT: 0127-BUP13059-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13059-01Size:5 mg

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CAS Number

41931-13-9

Synonyms

LCS1

Purity

=98%

Smiles

O=C1C(Cl)=C(Cl)C=NN1C2=CC=CC(=C2)C

Chemical Information

4,5-Dichloro-2-(3-methylphenyl)pyridazin-3-one

CAS Number	41931-13-9
PubChem CID	779573
IUPAC Name	4,5-dichloro-2-(3-methylphenyl)pyridazin-3-one
Molecular Formula	C11H8Cl2N2O
Molecular Weight	255.10
XLogP	2.4
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	365

SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)Cl

InChI

InChI=1S/C11H8Cl2N2O/c1-7-3-2-4-8(5-7)15-11(16)10(13)9(12)6-14-15/h2-6H,1H3

InChIKey

SYUPLLHVMCLXEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41931-13-9

CID: 779573

Formula: C11H8Cl2N2O

MW: 255.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.10
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	254.0013683
Monoisotopic Mass	254.0013683
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	365
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
BUP04756-01	LCS3
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC7819M-01	1,1,1-Trifluoropropane
OR1044052-01	1,1,1-Trimethoxypropane
OR305626	1,1,1-Triphenylsilanamine
PC2909	1,1,1-Trifluorobutane
OR16079-01	1,1,1-Trichloroacetone

Catalog	Name
T60386-01	LCS-1
sc-394311A	LCS 1
hsp-011	Dnak LCS
1.64	PhotoSwitch circuit (LCS-3)
1.6	PhotoSwitch circuit (LCS-2)
MBS9718788-01	HRP, Mouse Anti-Rabbit IgG LCS
GTR18775880-01	IPKine HRP, Mouse Rabbit IgG LCS Antibody
A25012-01	IPKine™ HRP, Goat Anti-Mouse IgG LCS
GTR18775868-01	IPKine HRP, Goat Mouse IgG LCS Antibody
A25022-01	IPKine™ HRP, Mouse Anti-Rabbit IgG LCS