2-chlorobenzoate;dimethylazanium

C9H12ClNO2 — CID 6451254

IUPAC2-chlorobenzoate;dimethylazanium
SMILESC[NH2+]C.O=C([O-])c1ccccc1Cl
InChIInChI=1S/C7H5ClO2.C2H7N/c8-6-4-2-1-3-5(6)7(9)10;1-3-2/h1-4H,(H,9,10);3H,1-2H3
InChIKeyJLEQUYOQVZXFFW-UHFFFAOYSA-N
MW201.65 g/mol
LogP-0.49
Rot. Bonds1

About 2-chlorobenzoate;dimethylazanium

2-chlorobenzoate;dimethylazanium (PubChem CID 6451254) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-chlorobenzoate;dimethylazanium.

Molecular Properties

Compound Name2-chlorobenzoate;dimethylazanium
PubChem CID6451254
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-chlorobenzoate;dimethylazanium
SMILESC[NH2+]C.O=C([O-])c1ccccc1Cl
InChIInChI=1S/C7H5ClO2.C2H7N/c8-6-4-2-1-3-5(6)7(9)10;1-3-2/h1-4H,(H,9,10);3H,1-2H3
InChIKeyJLEQUYOQVZXFFW-UHFFFAOYSA-N
XLogP-0.49
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chlorobenzoic Acid
CID 8374
Methyl 2-chlorobenzoate
CID 11895
Ethyl 2-chlorobenzoate
CID 81783
2,3,6-TBA-dimethylammonium
CID 18905
2-Chlorobenzoate
CID 4368810
2-Chlorobenzene-1-carboperoxoic acid
CID 12587398
Sodium o-chlorobenzoate
CID 23663665
Propyl 2-chlorobenzoate
CID 222326
Bis(2-chlorobenzoyl) peroxide
CID 76426
benzoic acid, o-chloro-, nickel(ii) salt
CID 23682
Benzoic acid, 2-chloro-3-methyl-, sodium salt (1:1)
CID 154734736
Sodium 2-chloro-5-methylbenzoate
CID 154734748

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzoate;dimethylazanium?
The IUPAC name of 2-chlorobenzoate;dimethylazanium (CID 6451254) is 2-chlorobenzoate;dimethylazanium.
What is the SMILES notation for 2-chlorobenzoate;dimethylazanium?
The canonical SMILES for 2-chlorobenzoate;dimethylazanium is C[NH2+]C.O=C([O-])c1ccccc1Cl.
What is the InChIKey of 2-chlorobenzoate;dimethylazanium?
The InChIKey is JLEQUYOQVZXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.C2H7N/c8-6-4-2-1-3-5(6)7(9)10;1-3-2/h1-4H,(H,9,10);3H,1-2H3.
What are the key properties of 2-chlorobenzoate;dimethylazanium?
2-chlorobenzoate;dimethylazanium has a molecular weight of 201.65 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzoate;dimethylazanium is sourced from PubChem (CID 6451254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).