1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine

C12H7BrCl2N4O4 — CID 170430604

IUPAC1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1c(Cl)cccc1NNc1ccc(Br)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H7BrCl2N4O4/c13-6-4-5-9(12(10(6)15)19(22)23)17-16-8-3-1-2-7(14)11(8)18(20)21/h1-5,16-17H
InChIKeyRKMHHCKJVKYRPP-UHFFFAOYSA-N
MW422.02 g/mol
LogP5.01
Rot. Bonds5

About 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine

1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine (PubChem CID 170430604) has the molecular formula C12H7BrCl2N4O4 and a molecular weight of 422.02 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
PubChem CID170430604
Molecular FormulaC12H7BrCl2N4O4
Molecular Weight422.02 g/mol
Exact Mass419.90
IUPAC Name1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine
SMILESO=[N+]([O-])c1c(Cl)cccc1NNc1ccc(Br)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H7BrCl2N4O4/c13-6-4-5-9(12(10(6)15)19(22)23)17-16-8-3-1-2-7(14)11(8)18(20)21/h1-5,16-17H
InChIKeyRKMHHCKJVKYRPP-UHFFFAOYSA-N
XLogP5.01
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.02
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-3-chloro-2-nitroaniline
CID 104838746
N-(3-bromo-4-iodophenyl)-3-chloro-2-nitroaniline
CID 114262297
4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411
3-chloro-N-(4-chlorophenyl)-2-nitroaniline
CID 104838744
1-bromo-3,4-dichloro-2-nitrobenzene
CID 118813548
methyl 2-(4-bromo-3-chloro-2-nitroanilino)propanoate
CID 162524603
3-chloro-N-(3-chlorophenyl)-2-nitroaniline
CID 113459239
2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline
CID 113459316
2-(3-chloro-2-nitroanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107849238
3-chloro-2-nitro-N-pentan-3-ylaniline
CID 104835652
3-chloro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 104835684
3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
CID 104838755

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?
The IUPAC name of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine (CID 170430604) is 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine is O=[N+]([O-])c1c(Cl)cccc1NNc1ccc(Br)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?
The InChIKey is RKMHHCKJVKYRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N4O4/c13-6-4-5-9(12(10(6)15)19(22)23)17-16-8-3-1-2-7(14)11(8)18(20)21/h1-5,16-17H.
What are the key properties of 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine?
1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine has a molecular weight of 422.02 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-nitrophenyl)-2-(3-chloro-2-nitrophenyl)hydrazine is sourced from PubChem (CID 170430604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).