PHD-1-IN-1

CAT: 0607-BA7821-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7821-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2009343-14-8

Form

A solid

Molecular Formula

C13H8N4

Molecular Weight

220.23

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Phd-1-IN-1

CAS Number	2009343-14-8
PubChem CID	122540724
IUPAC Name	4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
Molecular Formula	C13H8N4
Molecular Weight	220.23
XLogP	2.1
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	313

SMILES

C1=CC2=NC=NN2C(=C1)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H

InChIKey

DEYMFBHALUHGST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2009343-14-8

CID: 122540724

Formula: C13H8N4

MW: 220.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.23
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	220.074896272
Monoisotopic Mass	220.074896272
Topological Polar Surface Area	54 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	313
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