Raphin1

CAT: 0607-BA8148-25Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA8148-25Size:25 mg

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

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CAS Number

2022961-17-5

Form

A solid

Molecular Formula

C8H8Cl2N4

Molecular Weight

231.08

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-((2,3-Dichlorophenyl)methylene)carbazamidine

CAS Number	2022961-17-5
PubChem CID	9560222
IUPAC Name	2-[(E)-(2,3-dichlorophenyl)methylideneamino]guanidine
Molecular Formula	C8H8Cl2N4
Molecular Weight	231.08
XLogP	1.7
Topological Polar Surface Area	76.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	237

SMILES

C1=CC(=C(C(=C1)Cl)Cl)/C=N/N=C(N)N

InChI

InChI=1S/C8H8Cl2N4/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+

InChIKey

WLTSTDGGFCQWTK-YIXHJXPBSA-N

Chemical Structure

2D Structure

CAS: 2022961-17-5

CID: 9560222

Formula: C8H8Cl2N4

MW: 231.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.08
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	230.0126017
Monoisotopic Mass	230.0126017
Topological Polar Surface Area	76.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes