(2-amino-4,5-dibromophenyl) formate

C7H5Br2NO2 — CID 58470919

IUPAC(2-amino-4,5-dibromophenyl) formate
SMILESNc1cc(Br)c(Br)cc1OC=O
InChIInChI=1S/C7H5Br2NO2/c8-4-1-6(10)7(12-3-11)2-5(4)9/h1-3H,10H2
InChIKeyJGGBWEVTYAEUOJ-UHFFFAOYSA-N
MW294.93 g/mol
LogP2.33
Rot. Bonds2

About (2-amino-4,5-dibromophenyl) formate

(2-amino-4,5-dibromophenyl) formate (PubChem CID 58470919) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is (2-amino-4,5-dibromophenyl) formate.

Molecular Properties

Compound Name(2-amino-4,5-dibromophenyl) formate
PubChem CID58470919
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name(2-amino-4,5-dibromophenyl) formate
SMILESNc1cc(Br)c(Br)cc1OC=O
InChIInChI=1S/C7H5Br2NO2/c8-4-1-6(10)7(12-3-11)2-5(4)9/h1-3H,10H2
InChIKeyJGGBWEVTYAEUOJ-UHFFFAOYSA-N
XLogP2.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-2-methoxyaniline
CID 459257
4,5-Dibromo-2-methoxyaniline
CID 911334
2,3,4-Tribromo-6-methoxyaniline
CID 1933460
5-Bromo-2-methoxyaniline
CID 3585328
4-Bromo-5-fluoro-2-methoxyaniline
CID 22347298
p-Bromoaniline acetate
CID 118649449
5-Bromo-4-fluoro-2-methoxyaniline
CID 53418433
4-Bromo-2-(fluoromethoxy)aniline
CID 54094296
(2-Amino-4-bromo-6-fluorophenyl) formate
CID 58574258
(2-Amino-5-bromo-4-fluorophenyl) formate
CID 87414185
(2-Amino-4-bromo-3-fluorophenyl) formate
CID 90249553
4-bromo-N-fluoro-2-methoxyaniline
CID 90902762

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dibromophenyl) formate?
The IUPAC name of (2-amino-4,5-dibromophenyl) formate (CID 58470919) is (2-amino-4,5-dibromophenyl) formate.
What is the SMILES notation for (2-amino-4,5-dibromophenyl) formate?
The canonical SMILES for (2-amino-4,5-dibromophenyl) formate is Nc1cc(Br)c(Br)cc1OC=O.
What is the InChIKey of (2-amino-4,5-dibromophenyl) formate?
The InChIKey is JGGBWEVTYAEUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO2/c8-4-1-6(10)7(12-3-11)2-5(4)9/h1-3H,10H2.
What are the key properties of (2-amino-4,5-dibromophenyl) formate?
(2-amino-4,5-dibromophenyl) formate has a molecular weight of 294.93 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dibromophenyl) formate is sourced from PubChem (CID 58470919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).