CAS 38435-51-7|(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride|(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride|N-Hydroxy-4-methoxybenzenecarboximidoyl chloride|N-hydroxy-4-methoxyben...

General Information

Structure

Molecular Formula

C₈H₈ClNO₂

Molecular Mass

185.60762

Exact Mass

185.02435618

Charge

InChI

InChI=1S/C8H8ClNO2/c1-12-7-4-2-6(3-5-7)8(9)10-11/h2-5,11H,1H3/b10-8-

InChIKey

RWYJLUIRTJBSDS-NTMALXAHSA-N

Canonic Smiles

COc1ccc(cc1)/C(=N/O)/Cl

Isomeric Smiles

C(=N\O)(/c1ccc(cc1)OC)\Cl

Calculated Properties

JChem

Acid pKa

7.233335

H Acceptors

H Donor

LogD (pH = 5.5)

2.0080473

LogD (pH = 7.4)

1.6263292

Log P

2.015967

Molar Refractivity

47.4576

Polarizability

17.972246

Polar Surface Area

41.82

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride

Synonyms

N-Hydroxy-4-methoxybenzenecarboximidoyl chloride4-[Chloro(hydroxyimino)methyl]anisoleN-Hydroxy-4-methoxybenzenecarboximidoyl chloridealpha-Chloro-4-methoxybenzaldoxime

IUPAC Traditional name

(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride N-hydroxy-4-methoxybenzenecarbonimidoyl chloride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Product Information

>95%

> 95%

Physical Property

87-89°C

84-89°C

87 - 89 °C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

暂无数据

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride

Synonyms

N-Hydroxy-4-methoxybenzenecarboximidoyl chloride4-[Chloro(hydroxyimino)methyl]anisoleN-Hydroxy-4-methoxybenzenecarboximidoyl chloridealpha-Chloro-4-methoxybenzaldoxime

IUPAC Traditional name

(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride N-hydroxy-4-methoxybenzenecarbonimidoyl chloride

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

Product Information

>95%

> 95%

Physical Property

87-89°C

84-89°C

87 - 89 °C

Molecule

ID:40031