1,2-dichloro-3-(phenylmethyl)benzene;zirconium

C13H9Cl2Zr- — CID 175349051

IUPAC1,2-dichloro-3-(phenylmethyl)benzene;zirconium
SMILESClc1cccc([CH-]c2ccccc2)c1Cl.[Zr]
InChIInChI=1S/C13H9Cl2.Zr/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10;/h1-9H;/q-1;
InChIKeyUGJAYPRAFKBKMU-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.59
Rot. Bonds2

About 1,2-dichloro-3-(phenylmethyl)benzene;zirconium

1,2-dichloro-3-(phenylmethyl)benzene;zirconium (PubChem CID 175349051) has the molecular formula C13H9Cl2Zr- and a molecular weight of 327.35 g/mol. Its IUPAC name is 1,2-dichloro-3-(phenylmethyl)benzene;zirconium.

Molecular Properties

Compound Name1,2-dichloro-3-(phenylmethyl)benzene;zirconium
PubChem CID175349051
Molecular FormulaC13H9Cl2Zr-
Molecular Weight327.35 g/mol
Exact Mass324.91
IUPAC Name1,2-dichloro-3-(phenylmethyl)benzene;zirconium
SMILESClc1cccc([CH-]c2ccccc2)c1Cl.[Zr]
InChIInChI=1S/C13H9Cl2.Zr/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10;/h1-9H;/q-1;
InChIKeyUGJAYPRAFKBKMU-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-3-(chloromethyl)benzene;zirconium
CID 87866598
phenylmethylbenzene;titanium(3+);dichloride
CID 175029048
lithium;2-chloroaniline;hydride
CID 175102448
CID 172733378
CID 172733378
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
potassium;2,3-dichlorophenol;hydride
CID 174676852
benzene;ruthenium;1,2,3,4-tetrachlorobenzene
CID 173000636
1-chloro-2-(chloromethyl)benzene;zinc;hydrobromide
CID 90272355
1-chloro-2-(2,3-dichlorophenyl)-2-phenylethenol
CID 174527965
azane;1,2-dichlorobenzene
CID 70584322
(2R)-2-(2,3-dichlorophenyl)but-3-en-2-amine
CID 130739567
(2,3-dichlorophenyl)methanediamine
CID 139660481

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(phenylmethyl)benzene;zirconium?
The IUPAC name of 1,2-dichloro-3-(phenylmethyl)benzene;zirconium (CID 175349051) is 1,2-dichloro-3-(phenylmethyl)benzene;zirconium.
What is the SMILES notation for 1,2-dichloro-3-(phenylmethyl)benzene;zirconium?
The canonical SMILES for 1,2-dichloro-3-(phenylmethyl)benzene;zirconium is Clc1cccc([CH-]c2ccccc2)c1Cl.[Zr].
What is the InChIKey of 1,2-dichloro-3-(phenylmethyl)benzene;zirconium?
The InChIKey is UGJAYPRAFKBKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2.Zr/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10;/h1-9H;/q-1;.
What are the key properties of 1,2-dichloro-3-(phenylmethyl)benzene;zirconium?
1,2-dichloro-3-(phenylmethyl)benzene;zirconium has a molecular weight of 327.35 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(phenylmethyl)benzene;zirconium is sourced from PubChem (CID 175349051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).