1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone

C14H9BrClNO4 — CID 7991185

IUPAC1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClNO4/c15-10-3-1-9(2-4-10)13(18)8-21-14-6-5-11(16)7-12(14)17(19)20/h1-7H,8H2
InChIKeyWWOVUDWUPJSTSE-UHFFFAOYSA-N
MW370.59 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone

1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone (PubChem CID 7991185) has the molecular formula C14H9BrClNO4 and a molecular weight of 370.59 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone
PubChem CID7991185
Molecular FormulaC14H9BrClNO4
Molecular Weight370.59 g/mol
Exact Mass368.94
IUPAC Name1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClNO4/c15-10-3-1-9(2-4-10)13(18)8-21-14-6-5-11(16)7-12(14)17(19)20/h1-7H,8H2
InChIKeyWWOVUDWUPJSTSE-UHFFFAOYSA-N
XLogP4.27
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(4-chloro-2-nitrophenoxy)acetic acid
CID 715650
[2-(4-bromophenyl)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9390776
4-chloro-1-(2-methylprop-2-enoxy)-2-nitrobenzene
CID 46850457
2-(5-bromo-2-nitrophenoxy)-1-phenylethanone
CID 67247662
[2-(4-chlorophenyl)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9389605
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(4-chloro-2-nitrophenoxy)-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone
CID 30005490
3-(4-chloro-2-nitrophenoxy)propan-1-ol
CID 43509924
methyl 4-[2-(3,4-dichlorophenyl)-2-oxoethoxy]-3-nitrobenzoate
CID 60545444
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone (CID 7991185) is 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone is O=C(COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone?
The InChIKey is WWOVUDWUPJSTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO4/c15-10-3-1-9(2-4-10)13(18)8-21-14-6-5-11(16)7-12(14)17(19)20/h1-7H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone?
1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone has a molecular weight of 370.59 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4-chloro-2-nitrophenoxy)ethanone is sourced from PubChem (CID 7991185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).