carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)

C15H16ClNOZr — CID 135967304

IUPACcarbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
SMILESOc1c(Cl)cccc1/C=N/c1ccccc1.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/C13H10ClNO.2CH3.Zr/c14-12-8-4-5-10(13(12)16)9-15-11-6-2-1-3-7-11;;;/h1-9,16H;2*1H3;/q;2*-1;+2/b15-9+;;;
InChIKeyANMCRMNUHGPLPF-SFRYUHGMSA-N
MW352.98 g/mol
LogP4.69
Rot. Bonds2

About carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)

carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+) (PubChem CID 135967304) has the molecular formula C15H16ClNOZr and a molecular weight of 352.98 g/mol. Its IUPAC name is carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+).

Molecular Properties

Compound Namecarbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
PubChem CID135967304
Molecular FormulaC15H16ClNOZr
Molecular Weight352.98 g/mol
Exact Mass351.00
IUPAC Namecarbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
SMILESOc1c(Cl)cccc1/C=N/c1ccccc1.[CH3-].[CH3-].[Zr+2]
InChIInChI=1S/C13H10ClNO.2CH3.Zr/c14-12-8-4-5-10(13(12)16)9-15-11-6-2-1-3-7-11;;;/h1-9,16H;2*1H3;/q;2*-1;+2/b15-9+;;;
InChIKeyANMCRMNUHGPLPF-SFRYUHGMSA-N
XLogP4.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.98
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-N-phenylmethanimine
CID 23340900
4-[(2,3-dichlorophenyl)methylideneamino]phenol
CID 132648456
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-chloro-6-[[(1S,2S)-2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol
CID 139203856
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-(benzyliminomethyl)-6-chlorophenol
CID 165349196
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
dichlorotitanium;2-(phenyliminomethyl)-6-(trifluoromethyl)phenol
CID 135967283
1-(2,6-dichlorophenyl)-N-(4-phenyldiazenylphenyl)methanimine
CID 4505752
2-(phenyliminomethyl)-6-phenylsulfanylphenol;trichlorotantalum
CID 135997447

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)?
The IUPAC name of carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+) (CID 135967304) is carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+).
What is the SMILES notation for carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)?
The canonical SMILES for carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+) is Oc1c(Cl)cccc1/C=N/c1ccccc1.[CH3-].[CH3-].[Zr+2].
What is the InChIKey of carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)?
The InChIKey is ANMCRMNUHGPLPF-SFRYUHGMSA-N. The full InChI is InChI=1S/C13H10ClNO.2CH3.Zr/c14-12-8-4-5-10(13(12)16)9-15-11-6-2-1-3-7-11;;;/h1-9,16H;2*1H3;/q;2*-1;+2/b15-9+;;;.
What are the key properties of carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)?
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+) has a molecular weight of 352.98 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+) is sourced from PubChem (CID 135967304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).