[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride

C12H10BrClF2N2O — CID 118138307

IUPAC[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Oc2cccc(F)c2F)cc1Br
InChIInChI=1S/C12H9BrF2N2O.ClH/c13-8-6-7(4-5-10(8)17-16)18-11-3-1-2-9(14)12(11)15;/h1-6,17H,16H2;1H
InChIKeyHBGMXCSZQJURBE-UHFFFAOYSA-N
MW351.58 g/mol
LogP4.23
Rot. Bonds3

About [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride

[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride (PubChem CID 118138307) has the molecular formula C12H10BrClF2N2O and a molecular weight of 351.58 g/mol. Its IUPAC name is [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride
PubChem CID118138307
Molecular FormulaC12H10BrClF2N2O
Molecular Weight351.58 g/mol
Exact Mass349.96
IUPAC Name[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Oc2cccc(F)c2F)cc1Br
InChIInChI=1S/C12H9BrF2N2O.ClH/c13-8-6-7(4-5-10(8)17-16)18-11-3-1-2-9(14)12(11)15;/h1-6,17H,16H2;1H
InChIKeyHBGMXCSZQJURBE-UHFFFAOYSA-N
XLogP4.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine
CID 118138308
[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride
CID 118138355
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
[2-fluoro-4-(2-phosphanylphenoxy)phenyl]hydrazine
CID 146577721
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
4-(2,3-difluorophenoxy)benzenecarbothioamide
CID 63038333
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
3-(2,3-difluorophenoxy)furan
CID 76539749
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
[4-(2,3-difluorophenoxy)phenyl]boronic acid
CID 140785253
1-[2-(3-bromo-4-fluorophenoxy)-6-fluorophenyl]ethanone
CID 83235123

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride?
The IUPAC name of [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride (CID 118138307) is [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(Oc2cccc(F)c2F)cc1Br.
What is the InChIKey of [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride?
The InChIKey is HBGMXCSZQJURBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O.ClH/c13-8-6-7(4-5-10(8)17-16)18-11-3-1-2-9(14)12(11)15;/h1-6,17H,16H2;1H.
What are the key properties of [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride?
[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride has a molecular weight of 351.58 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 118138307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).