dichloromethylbenzene

C7H6Cl2 — CID 7411

IUPACdichloromethylbenzene
SMILESClC(Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKeyCAHQGWAXKLQREW-UHFFFAOYSA-N
MW161.03 g/mol
LogP3.16
Rot. Bonds1

About dichloromethylbenzene

dichloromethylbenzene (PubChem CID 7411) has the molecular formula C7H6Cl2 and a molecular weight of 161.03 g/mol. Its IUPAC name is dichloromethylbenzene.

Molecular Properties

Compound Namedichloromethylbenzene
PubChem CID7411
Molecular FormulaC7H6Cl2
Molecular Weight161.03 g/mol
Exact Mass159.98
IUPAC Namedichloromethylbenzene
SMILESClC(Cl)c1ccccc1
InChIInChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKeyCAHQGWAXKLQREW-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloromethylbenzene;ethene
CID 157063786
dichloromethylbenzene;nitrous acid
CID 175092421
dichloromethylbenzene;isocyanic acid
CID 88815786
dichloromethylbenzene;isocyanic acid
CID 88845451
(Chlorobenzyl)silane
CID 23051080
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
[(1R)-1-chloroethyl]benzene
CID 642190
CID 57277614
CID 57277614
[chloro(nitroso)methyl]benzene
CID 54497222
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
CID 101135261
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
[chloro(phenyl)methyl]hydrazine
CID 67761420

Frequently Asked Questions

What is the IUPAC name of dichloromethylbenzene?
The IUPAC name of dichloromethylbenzene (CID 7411) is dichloromethylbenzene.
What is the SMILES notation for dichloromethylbenzene?
The canonical SMILES for dichloromethylbenzene is ClC(Cl)c1ccccc1.
What is the InChIKey of dichloromethylbenzene?
The InChIKey is CAHQGWAXKLQREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of dichloromethylbenzene?
dichloromethylbenzene has a molecular weight of 161.03 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylbenzene is sourced from PubChem (CID 7411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).