DCl

CAT: 1489-D9760Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-D9760Size:5 g

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

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CAS Number

1122-28-7

Purity

0.98

Chemical Information

4,5-Dicyanoimidazole

CAS Number	1122-28-7
PubChem CID	70729
IUPAC Name	1H-imidazole-4,5-dicarbonitrile
Molecular Formula	C5H2N4
Molecular Weight	118.10
XLogP	0.2
Topological Polar Surface Area	76.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	191

SMILES

C1=NC(=C(N1)C#N)C#N

InChI

InChI=1S/C5H2N4/c6-1-4-5(2-7)9-3-8-4/h3H,(H,8,9)

InChIKey

XGDRLCRGKUCBQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1122-28-7

CID: 70729

Formula: C5H2N4

MW: 118.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.10
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	118.027946081
Monoisotopic Mass	118.027946081
Topological Polar Surface Area	76.3 Å²
Heavy Atom Count	9
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

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