1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene

C14H11BrClNO2 — CID 63519874

IUPAC1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1CC(Cl)c1ccccc1Br
InChIInChI=1S/C14H11BrClNO2/c15-12-7-3-2-6-11(12)13(16)9-10-5-1-4-8-14(10)17(18)19/h1-8,13H,9H2
InChIKeyLXAWSCMFGPGDCL-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.88
Rot. Bonds4

About 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene

1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene (PubChem CID 63519874) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene
PubChem CID63519874
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1CC(Cl)c1ccccc1Br
InChIInChI=1S/C14H11BrClNO2/c15-12-7-3-2-6-11(12)13(16)9-10-5-1-4-8-14(10)17(18)19/h1-8,13H,9H2
InChIKeyLXAWSCMFGPGDCL-UHFFFAOYSA-N
XLogP4.88
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-[1-chloro-2-(2-nitrophenyl)ethyl]-2,3-difluorobenzene
CID 63017760
2-bromo-5-[1-chloro-2-(2-nitrophenyl)ethyl]furan
CID 63017384
1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709
2-chloro-1-[1-chloro-2-(2-nitrophenyl)ethyl]-4-methylbenzene
CID 106863723
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
(1R)-1-(2-bromophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81379184
2-[1-chloro-2-(2-nitrophenyl)ethyl]-5-ethylfuran
CID 79083955
1-bromo-2-nitrobenzene
CID 158366116
1-(2-chloro-3-methoxypropyl)-2-nitrobenzene
CID 63205567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene?
The IUPAC name of 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene (CID 63519874) is 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene.
What is the SMILES notation for 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene?
The canonical SMILES for 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene is O=[N+]([O-])c1ccccc1CC(Cl)c1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene?
The InChIKey is LXAWSCMFGPGDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-12-7-3-2-6-11(12)13(16)9-10-5-1-4-8-14(10)17(18)19/h1-8,13H,9H2.
What are the key properties of 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene?
1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene has a molecular weight of 340.60 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-2-chloroethyl]-2-nitrobenzene is sourced from PubChem (CID 63519874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).