azane;1,4-dichloro-2-(chloromethyl)benzene

C7H8Cl3N — CID 174958411

IUPACazane;1,4-dichloro-2-(chloromethyl)benzene
SMILESClCc1cc(Cl)ccc1Cl.N
InChIInChI=1S/C7H5Cl3.H3N/c8-4-5-3-6(9)1-2-7(5)10;/h1-3H,4H2;1H3
InChIKeyFPXJAAJLXYNKGR-UHFFFAOYSA-N
MW212.51 g/mol
LogP3.89
Rot. Bonds1

About azane;1,4-dichloro-2-(chloromethyl)benzene

azane;1,4-dichloro-2-(chloromethyl)benzene (PubChem CID 174958411) has the molecular formula C7H8Cl3N and a molecular weight of 212.51 g/mol. Its IUPAC name is azane;1,4-dichloro-2-(chloromethyl)benzene.

Molecular Properties

Compound Nameazane;1,4-dichloro-2-(chloromethyl)benzene
PubChem CID174958411
Molecular FormulaC7H8Cl3N
Molecular Weight212.51 g/mol
Exact Mass210.97
IUPAC Nameazane;1,4-dichloro-2-(chloromethyl)benzene
SMILESClCc1cc(Cl)ccc1Cl.N
InChIInChI=1S/C7H5Cl3.H3N/c8-4-5-3-6(9)1-2-7(5)10;/h1-3H,4H2;1H3
InChIKeyFPXJAAJLXYNKGR-UHFFFAOYSA-N
XLogP3.89
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
(2,5-dichlorophenyl)methanethiol
CID 21489083
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
(2,5-dichlorophenyl)methoxyazanium
CID 3797844
[4-chloro-2-(chloromethyl)phenyl]hydrazine
CID 130951605
4-(chloromethyl)-1-[(2,5-dichlorophenyl)methoxy]-2-nitrobenzene
CID 65316735
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493

Frequently Asked Questions

What is the IUPAC name of azane;1,4-dichloro-2-(chloromethyl)benzene?
The IUPAC name of azane;1,4-dichloro-2-(chloromethyl)benzene (CID 174958411) is azane;1,4-dichloro-2-(chloromethyl)benzene.
What is the SMILES notation for azane;1,4-dichloro-2-(chloromethyl)benzene?
The canonical SMILES for azane;1,4-dichloro-2-(chloromethyl)benzene is ClCc1cc(Cl)ccc1Cl.N.
What is the InChIKey of azane;1,4-dichloro-2-(chloromethyl)benzene?
The InChIKey is FPXJAAJLXYNKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3.H3N/c8-4-5-3-6(9)1-2-7(5)10;/h1-3H,4H2;1H3.
What are the key properties of azane;1,4-dichloro-2-(chloromethyl)benzene?
azane;1,4-dichloro-2-(chloromethyl)benzene has a molecular weight of 212.51 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,4-dichloro-2-(chloromethyl)benzene is sourced from PubChem (CID 174958411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).