(2,3-dichlorophenyl)methylazanium

C7H8Cl2N+ — CID 6951258

IUPAC(2,3-dichlorophenyl)methylazanium
SMILES[NH3+]Cc1cccc(Cl)c1Cl
InChIInChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2/p+1
InChIKeyJHBVZGONNIVXFJ-UHFFFAOYSA-O
MW177.05 g/mol
LogP1.74
Rot. Bonds1

About (2,3-dichlorophenyl)methylazanium

(2,3-dichlorophenyl)methylazanium (PubChem CID 6951258) has the molecular formula C7H8Cl2N+ and a molecular weight of 177.05 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methylazanium.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methylazanium
PubChem CID6951258
Molecular FormulaC7H8Cl2N+
Molecular Weight177.05 g/mol
Exact Mass176.00
IUPAC Name(2,3-dichlorophenyl)methylazanium
SMILES[NH3+]Cc1cccc(Cl)c1Cl
InChIInChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2/p+1
InChIKeyJHBVZGONNIVXFJ-UHFFFAOYSA-O
XLogP1.74
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.05
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-3-(iodomethyl)benzene
CID 107310418
(2,3-dichlorophenyl)methyl-methylazanium
CID 2060843
1,2-dichloro-3-(2-phenylethyl)benzene
CID 139886984
6-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 91872292
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
2,3-dichloro-1-[(2,3-dichlorophenyl)methyl]-4-methylbenzene
CID 14252253
2-[(2,3-dichlorophenyl)methyl]-1,3-dioxole
CID 71772683
1-(azidomethyl)-2,3-dichlorobenzene
CID 21282659
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[2,2-bis(chloromethyl)pentyl]-2,3-dichlorobenzene
CID 107310887

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methylazanium?
The IUPAC name of (2,3-dichlorophenyl)methylazanium (CID 6951258) is (2,3-dichlorophenyl)methylazanium.
What is the SMILES notation for (2,3-dichlorophenyl)methylazanium?
The canonical SMILES for (2,3-dichlorophenyl)methylazanium is [NH3+]Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methylazanium?
The InChIKey is JHBVZGONNIVXFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2/p+1.
What are the key properties of (2,3-dichlorophenyl)methylazanium?
(2,3-dichlorophenyl)methylazanium has a molecular weight of 177.05 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methylazanium is sourced from PubChem (CID 6951258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).