1,5-dibromo-2-chloro-4-nitrobenzene

C6H2Br2ClNO2 — CID 154213219

IUPAC1,5-dibromo-2-chloro-4-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)c(Br)cc1Br
InChIInChI=1S/C6H2Br2ClNO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H
InChIKeyOIVDDHCPJKCSDO-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.77
Rot. Bonds1

About 1,5-dibromo-2-chloro-4-nitrobenzene

1,5-dibromo-2-chloro-4-nitrobenzene (PubChem CID 154213219) has the molecular formula C6H2Br2ClNO2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1,5-dibromo-2-chloro-4-nitrobenzene.

Molecular Properties

Compound Name1,5-dibromo-2-chloro-4-nitrobenzene
PubChem CID154213219
Molecular FormulaC6H2Br2ClNO2
Molecular Weight315.35 g/mol
Exact Mass312.81
IUPAC Name1,5-dibromo-2-chloro-4-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)c(Br)cc1Br
InChIInChI=1S/C6H2Br2ClNO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H
InChIKeyOIVDDHCPJKCSDO-UHFFFAOYSA-N
XLogP3.77
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-chloro-4-iodo-5-nitrobenzene
CID 50999507
sodium;1-bromo-2-chloro-5-fluoro-4-nitrobenzene;methanolate
CID 67469276
1-bromo-2,4,5-trinitrobenzene
CID 13333986
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
(4-bromo-5-chloro-2-nitrophenyl)methanol
CID 131289970
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
1-bromo-5-chloro-4-methylsulfonyl-2-nitrobenzene
CID 150941727
1-bromo-4,5-diiodo-2-nitrobenzene
CID 11503393
1-bromo-2-chloro-5-(2-methoxyethoxy)-4-nitrobenzene
CID 75537168
3-bromo-4-nitrobicyclo[4.2.0]octa-1,3,5-triene
CID 130836892
dimethyl 2-(5-bromo-4-chloro-2-nitrophenyl)propanedioate
CID 170351423
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-2-chloro-4-nitrobenzene?
The IUPAC name of 1,5-dibromo-2-chloro-4-nitrobenzene (CID 154213219) is 1,5-dibromo-2-chloro-4-nitrobenzene.
What is the SMILES notation for 1,5-dibromo-2-chloro-4-nitrobenzene?
The canonical SMILES for 1,5-dibromo-2-chloro-4-nitrobenzene is O=[N+]([O-])c1cc(Cl)c(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-2-chloro-4-nitrobenzene?
The InChIKey is OIVDDHCPJKCSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2ClNO2/c7-3-1-4(8)6(10(11)12)2-5(3)9/h1-2H.
What are the key properties of 1,5-dibromo-2-chloro-4-nitrobenzene?
1,5-dibromo-2-chloro-4-nitrobenzene has a molecular weight of 315.35 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-2-chloro-4-nitrobenzene is sourced from PubChem (CID 154213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).