5-Phenyl-1H-indazole

CAT: 0127-OR1004772-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1004772-01Size:1 g

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CAS Number

185316-58-9

MDL Number

MFCD05663430

Purity

95%

Smiles

C1n[nH]c2ccc(cc12)-c1ccccc1

Chemical Information

5-Phenyl-1H-indazole

CAS Number	185316-58-9
PubChem CID	15240186
IUPAC Name	5-phenyl-1H-indazole
Molecular Formula	C13H10N2
Molecular Weight	194.23
XLogP	3.4
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	211

SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)NN=C3

InChI

InChI=1S/C13H10N2/c1-2-4-10(5-3-1)11-6-7-13-12(8-11)9-14-15-13/h1-9H,(H,14,15)

InChIKey

JQHTYMOOIFVIJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 185316-58-9

CID: 15240186

Formula: C13H10N2

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	194.084398327
Monoisotopic Mass	194.084398327
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211
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
OR1045411-01	5-Bromo-3-phenyl-1H-indazole
OR1073465-01	3-Phenyl-1H-indazole
OR1045040-01	6-Phenyl-1H-indazole
OR1085889	4-Bromo-5-methyl-1-phenyl-1H-indazole
OR1087872-01	5- (Methylthio) -1H-indazole
OR73831-01	5-Ethynyl-1H-indazole
OR110371-01	5-Methoxy-1H-indazole
PC57007-01	5- (Trifluoromethoxy) -1H-indazole
OR305086-01	5-Methyl-1H-indazole
OR30885-01	5-Acetyl-1H-indazole