5-Ethynyl-1H-indazole

CAT: 0127-OR73831-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR73831-01Size:100 mg

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CAS Number

403660-57-1

MDL Number

MFCD20528036

Purity

96%

Smiles

C#CC1=CC2=C(NN=C2)C=C1

Chemical Information

5-ethynyl-1H-indazole

CAS Number	403660-57-1
PubChem CID	17842433
IUPAC Name	5-ethynyl-1H-indazole
Molecular Formula	C9H6N2
Molecular Weight	142.16
XLogP	2
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	191

SMILES

C#CC1=CC2=C(C=C1)NN=C2

InChI

InChI=1S/C9H6N2/c1-2-7-3-4-9-8(5-7)6-10-11-9/h1,3-6H,(H,10,11)

InChIKey

HITPFUFPRYAMGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 403660-57-1

CID: 17842433

Formula: C9H6N2

MW: 142.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.16
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	142.053098200
Monoisotopic Mass	142.053098200
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	191
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
OR1031006-01	5-Ethynyl-3-methyl-1H-indazole
OR1006098	4-Ethynyl-1H-indazole
OR79125-01	7-Ethynyl-1H-indazole
OR84897-01	6-Ethynyl-1H-indazole
OR305146	3-Bromo-5-ethynyl-1-trityl-1H-indazole
OR62076	5-Ethynyl-1H-indole
OR1087872-01	5- (Methylthio) -1H-indazole
OR1004772-01	5-Phenyl-1H-indazole
OR110371-01	5-Methoxy-1H-indazole
PC57007-01	5- (Trifluoromethoxy) -1H-indazole