1,3-dichlorobenzene;guanidine

C7H9Cl2N3 — CID 174959611

IUPAC1,3-dichlorobenzene;guanidine
SMILESClc1cccc(Cl)c1.[H]N=C(N)N
InChIInChI=1S/C6H4Cl2.CH5N3/c7-5-2-1-3-6(8)4-5;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyHTWIVWJMBTXCMU-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.83
Rot. Bonds

About 1,3-dichlorobenzene;guanidine

1,3-dichlorobenzene;guanidine (PubChem CID 174959611) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 1,3-dichlorobenzene;guanidine.

Molecular Properties

Compound Name1,3-dichlorobenzene;guanidine
PubChem CID174959611
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name1,3-dichlorobenzene;guanidine
SMILESClc1cccc(Cl)c1.[H]N=C(N)N
InChIInChI=1S/C6H4Cl2.CH5N3/c7-5-2-1-3-6(8)4-5;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyHTWIVWJMBTXCMU-UHFFFAOYSA-N
XLogP1.83
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,3-dichlorobenzene;sulfanol
CID 174381890
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
azane;1,3-dichlorobenzene
CID 67301049
magnesium;1,3-dichlorobenzene;hydride
CID 173052292
sodium;1,3-dichlorobenzene;hydride
CID 175271520
butane;1,3-dichlorobenzene
CID 174455068
1-(3-chlorophenyl)ethenamine
CID 144912576
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
acetic acid;1,3-dichlorobenzene;hydrate
CID 118105432
1,3-dichlorobenzene;2,4-dichlorophenol
CID 141496393
2-(3-chloroanilino)ethanethioamide
CID 82076448

Frequently Asked Questions

What is the IUPAC name of 1,3-dichlorobenzene;guanidine?
The IUPAC name of 1,3-dichlorobenzene;guanidine (CID 174959611) is 1,3-dichlorobenzene;guanidine.
What is the SMILES notation for 1,3-dichlorobenzene;guanidine?
The canonical SMILES for 1,3-dichlorobenzene;guanidine is Clc1cccc(Cl)c1.[H]N=C(N)N.
What is the InChIKey of 1,3-dichlorobenzene;guanidine?
The InChIKey is HTWIVWJMBTXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.CH5N3/c7-5-2-1-3-6(8)4-5;2-1(3)4/h1-4H;(H5,2,3,4).
What are the key properties of 1,3-dichlorobenzene;guanidine?
1,3-dichlorobenzene;guanidine has a molecular weight of 206.08 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorobenzene;guanidine is sourced from PubChem (CID 174959611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).