1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene

C14H9BrClNO2 — CID 10712090

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1/C=C/c1ccccc1Br
InChIInChI=1S/C14H9BrClNO2/c15-13-4-2-1-3-10(13)5-6-11-7-8-12(16)9-14(11)17(18)19/h1-9H/b6-5+
InChIKeyZDDPWUTWKBDTME-AATRIKPKSA-N
MW338.59 g/mol
LogP5.18
Rot. Bonds3

About 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene

1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene (PubChem CID 10712090) has the molecular formula C14H9BrClNO2 and a molecular weight of 338.59 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
PubChem CID10712090
Molecular FormulaC14H9BrClNO2
Molecular Weight338.59 g/mol
Exact Mass336.95
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1/C=C/c1ccccc1Br
InChIInChI=1S/C14H9BrClNO2/c15-13-4-2-1-3-10(13)5-6-11-7-8-12(16)9-14(11)17(18)19/h1-9H/b6-5+
InChIKeyZDDPWUTWKBDTME-AATRIKPKSA-N
XLogP5.18
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.59
LogP ≤ 55.18
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 818054
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856
1-[2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 54507727
1-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 21446805
4-chloro-2-nitro-1-[(E)-prop-1-enyl]benzene
CID 57056957
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
4-[2-(4-chloro-2-nitrophenyl)ethenyl]-N,N-dimethylaniline
CID 73186903
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
CID 6083825
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
(2E,4E)-1-(2,5-dichlorophenyl)-5-(2-nitrophenyl)penta-2,4-dien-1-one
CID 53376756
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene (CID 10712090) is 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1/C=C/c1ccccc1Br.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene?
The InChIKey is ZDDPWUTWKBDTME-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9BrClNO2/c15-13-4-2-1-3-10(13)5-6-11-7-8-12(16)9-14(11)17(18)19/h1-9H/b6-5+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene?
1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene has a molecular weight of 338.59 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene is sourced from PubChem (CID 10712090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).