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3-PHENYL-1H-INDAZOLE

CAT: 1266-JH115050Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH115050Size:1 Each
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CAS Number
13097-01-3
UN Code
UN 3265
Hazard Statement
C
Stability
Stable.
Molecular Formula
C13H10N2
Molecular Weight
194.23
Product Name Synonym
1H-Indazole,3-phenyl
Physical Properties
Light yellow powder
Hazardous Class
5.1
Safety Statements
26-27-36-45
Density
1.211g/cm3
Flash Point
192.1oC
RIDADR
UN 3265
Melting Point
195-200oC

Chemical Information

3-phenyl-1H-indazole
CAS Number13097-01-3
PubChem CID300385
IUPAC Name3-phenyl-1H-indazole
Molecular FormulaC13H10N2
Molecular Weight194.23
XLogP3.2
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity211
SMILES
C1=CC=C(C=C1)C2=NNC3=CC=CC=C32
InChI
InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
InChIKey
MXBKCOLSUUYOHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-phenyl-1H-indazole
CAS: 13097-01-3
CID: 300385
Formula: C13H10N2
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass194.084398327
Monoisotopic Mass194.084398327
Topological Polar Surface Area28.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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