2-bromo-4-chloro-1-(2-nitrophenyl)benzene

C12H7BrClNO2 — CID 162775338

IUPAC2-bromo-4-chloro-1-(2-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccccc1-c1ccc(Cl)cc1Br
InChIInChI=1S/C12H7BrClNO2/c13-11-7-8(14)5-6-9(11)10-3-1-2-4-12(10)15(16)17/h1-7H
InChIKeyIOTZKVYLXJWWHI-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.68
Rot. Bonds2

About 2-bromo-4-chloro-1-(2-nitrophenyl)benzene

2-bromo-4-chloro-1-(2-nitrophenyl)benzene (PubChem CID 162775338) has the molecular formula C12H7BrClNO2 and a molecular weight of 312.55 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(2-nitrophenyl)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(2-nitrophenyl)benzene
PubChem CID162775338
Molecular FormulaC12H7BrClNO2
Molecular Weight312.55 g/mol
Exact Mass310.93
IUPAC Name2-bromo-4-chloro-1-(2-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccccc1-c1ccc(Cl)cc1Br
InChIInChI=1S/C12H7BrClNO2/c13-11-7-8(14)5-6-9(11)10-3-1-2-4-12(10)15(16)17/h1-7H
InChIKeyIOTZKVYLXJWWHI-UHFFFAOYSA-N
XLogP4.68
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
2-bromo-4-chloro-1-[(2-nitrophenoxy)methyl]benzene
CID 125465496
3-(5-chloro-2-nitrophenyl)fluoranthene
CID 134301029
2,5-dichloro-3-(2-nitrophenyl)thiophene
CID 125484560
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
1-bromo-2-nitrobenzene
CID 158366116

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(2-nitrophenyl)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(2-nitrophenyl)benzene (CID 162775338) is 2-bromo-4-chloro-1-(2-nitrophenyl)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(2-nitrophenyl)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(2-nitrophenyl)benzene is O=[N+]([O-])c1ccccc1-c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(2-nitrophenyl)benzene?
The InChIKey is IOTZKVYLXJWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO2/c13-11-7-8(14)5-6-9(11)10-3-1-2-4-12(10)15(16)17/h1-7H.
What are the key properties of 2-bromo-4-chloro-1-(2-nitrophenyl)benzene?
2-bromo-4-chloro-1-(2-nitrophenyl)benzene has a molecular weight of 312.55 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(2-nitrophenyl)benzene is sourced from PubChem (CID 162775338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).