1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid

C6H7Br4N2O4P — CID 174886883

IUPAC1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid
SMILESBrNNc1cc(Br)cc(Br)c1Br.O=P(O)(O)O
InChIInChI=1S/C6H4Br4N2.H3O4P/c7-3-1-4(8)6(9)5(2-3)11-12-10;1-5(2,3)4/h1-2,11-12H;(H3,1,2,3,4)
InChIKeyNWQHLSYRXRHWKI-UHFFFAOYSA-N
MW521.72 g/mol
LogP3.27
Rot. Bonds2

About 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid

1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid (PubChem CID 174886883) has the molecular formula C6H7Br4N2O4P and a molecular weight of 521.72 g/mol. Its IUPAC name is 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid.

Molecular Properties

Compound Name1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid
PubChem CID174886883
Molecular FormulaC6H7Br4N2O4P
Molecular Weight521.72 g/mol
Exact Mass517.69
IUPAC Name1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid
SMILESBrNNc1cc(Br)cc(Br)c1Br.O=P(O)(O)O
InChIInChI=1S/C6H4Br4N2.H3O4P/c7-3-1-4(8)6(9)5(2-3)11-12-10;1-5(2,3)4/h1-2,11-12H;(H3,1,2,3,4)
InChIKeyNWQHLSYRXRHWKI-UHFFFAOYSA-N
XLogP3.27
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.72
LogP ≤ 53.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid?
The IUPAC name of 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid (CID 174886883) is 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid.
What is the SMILES notation for 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid?
The canonical SMILES for 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid is BrNNc1cc(Br)cc(Br)c1Br.O=P(O)(O)O.
What is the InChIKey of 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid?
The InChIKey is NWQHLSYRXRHWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br4N2.H3O4P/c7-3-1-4(8)6(9)5(2-3)11-12-10;1-5(2,3)4/h1-2,11-12H;(H3,1,2,3,4).
What are the key properties of 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid?
1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid has a molecular weight of 521.72 g/mol, XLogP of 3.27, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,3,5-tribromophenyl)hydrazine;phosphoric acid is sourced from PubChem (CID 174886883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).