(4-chloro-2-methylphenyl)azanium

C7H9ClN+ — CID 24848193

IUPAC(4-chloro-2-methylphenyl)azanium
SMILESCc1cc(Cl)ccc1[NH3+]
InChIInChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3/p+1
InChIKeyCXNVOWPRHWWCQR-UHFFFAOYSA-O
MW142.61 g/mol
LogP1.52
Rot. Bonds

About (4-chloro-2-methylphenyl)azanium

(4-chloro-2-methylphenyl)azanium (PubChem CID 24848193) has the molecular formula C7H9ClN+ and a molecular weight of 142.61 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)azanium.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)azanium
PubChem CID24848193
Molecular FormulaC7H9ClN+
Molecular Weight142.61 g/mol
Exact Mass142.04
IUPAC Name(4-chloro-2-methylphenyl)azanium
SMILESCc1cc(Cl)ccc1[NH3+]
InChIInChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3/p+1
InChIKeyCXNVOWPRHWWCQR-UHFFFAOYSA-O
XLogP1.52
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.61
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2,5-dichlorophenyl)azanium chloride
CID 53446797
4-chloro-1-ethynyl-2-methylbenzene
CID 53426515
4-chloro-1-(iodomethyl)-2-methylbenzene
CID 91883696
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
4-chloro-N,N,2-trimethylaniline;ethane
CID 143418789
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
bis(4-chloro-2-methylphenyl)-phenylphosphane
CID 59575015
(4-chloro-2-methylphenyl)-diphenylphosphane
CID 100913649
4-chloro-2,6-dimethylphenol;4-chloro-2-methylphenol
CID 161001401
1,4-dichloro-2-methylbenzene;1,4-dichloronaphthalene
CID 70540354
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
CID 91338289

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)azanium?
The IUPAC name of (4-chloro-2-methylphenyl)azanium (CID 24848193) is (4-chloro-2-methylphenyl)azanium.
What is the SMILES notation for (4-chloro-2-methylphenyl)azanium?
The canonical SMILES for (4-chloro-2-methylphenyl)azanium is Cc1cc(Cl)ccc1[NH3+].
What is the InChIKey of (4-chloro-2-methylphenyl)azanium?
The InChIKey is CXNVOWPRHWWCQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3/p+1.
What are the key properties of (4-chloro-2-methylphenyl)azanium?
(4-chloro-2-methylphenyl)azanium has a molecular weight of 142.61 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)azanium is sourced from PubChem (CID 24848193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).