CAS 19227-14-6|CAS 69113-23-1|(Z)-4-bromo-N'-hydroxybenzene-1-carboximidamide|4-Bromo-N'-hydroxybenzenecarboximidamide|(Z)-4-bromo-N'-hydroxybenzene-1-carboximidamide|4-bromo-N'-hydroxybenzene-1-car...

General Information

Structure

Molecular Formula

C₇H₇BrN₂O

Molecular Mass

215.04728

Exact Mass

213.97417485

Charge

InChI

InChI=1S/C7H7BrN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)

InChIKey

KCHIZOZPSSURRB-UHFFFAOYSA-N

Canonic Smiles

O/N=C(/c1ccc(cc1)Br)\N

Isomeric Smiles

C(=N\O)(/c1ccc(cc1)Br)\N

Calculated Properties

JChem

Acid pKa

8.957568

H Acceptors

H Donor

LogD (pH = 5.5)

1.5558494

LogD (pH = 7.4)

1.6441853

Log P

1.6592852

Molar Refractivity

46.703

Polarizability

17.588602

Polar Surface Area

58.61

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(Z)-4-bromo-N'-hydroxybenzene-1-carboximidamide 4-bromo-N'-hydroxybenzene-1-carboximidamide

Synonyms

4-Bromo-N'-hydroxybenzenecarboximidamide4-Bromobenzamidoxime4-Bromo-N'-hydroxybenzamidine4-Bromo-N'-hydroxybenzenecarboximidamide

IUPAC Traditional name

(Z)-4-bromo-N'-hydroxybenzene-1-carboximidamide 4-bromo-N'-hydroxybenzenecarboximidamide

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Irritant

Product Information

Purity

>95%

> 95%

95+%

Physical Property

142-144°C

142 - 144 °C

2.263

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)-4-bromo-N'-hydroxybenzene-1-carboximidamide 4-bromo-N'-hydroxybenzene-1-carboximidamide

Synonyms

4-Bromo-N'-hydroxybenzenecarboximidamide4-Bromobenzamidoxime4-Bromo-N'-hydroxybenzamidine4-Bromo-N'-hydroxybenzenecarboximidamide

IUPAC Traditional name

(Z)-4-bromo-N'-hydroxybenzene-1-carboximidamide 4-bromo-N'-hydroxybenzenecarboximidamide

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

TSCA Listed

false

MSDS Link

Download link

Storage Warning

IRRITANT

Irritant

Product Information

Purity

>95%

> 95%

95+%

Physical Property

142-144°C

142 - 144 °C

2.263

Molecule

ID:41962