methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate

C9H7BrClNO5 — CID 91674415

IUPACmethyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate
SMILESCOC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H7BrClNO5/c1-16-8(13)4-17-9-6(10)2-5(12(14)15)3-7(9)11/h2-3H,4H2,1H3
InChIKeyBZLYKTNUPLEXOS-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.56
Rot. Bonds4

About methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate

methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate (PubChem CID 91674415) has the molecular formula C9H7BrClNO5 and a molecular weight of 324.51 g/mol. Its IUPAC name is methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate
PubChem CID91674415
Molecular FormulaC9H7BrClNO5
Molecular Weight324.51 g/mol
Exact Mass322.92
IUPAC Namemethyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate
SMILESCOC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H7BrClNO5/c1-16-8(13)4-17-9-6(10)2-5(12(14)15)3-7(9)11/h2-3H,4H2,1H3
InChIKeyBZLYKTNUPLEXOS-UHFFFAOYSA-N
XLogP2.56
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-cyclopropyl-2-(2,6-dibromo-4-nitrophenoxy)ethanone
CID 63906260
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 17095298
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 17095292
1-cyclopentyl-2-(2,6-dibromo-4-nitrophenoxy)ethanone
CID 104751996
N-tert-butyl-2-[(2,6-dibromo-4-nitrophenoxy)methyl]prop-2-en-1-amine
CID 103067153
methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
2-(2,6-dibromo-4-nitrophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 62033264
methyl 2-[4-(2-bromoethyl)-2,6-dichlorophenoxy]acetate
CID 18620125
methyl 2-bromo-3-chloro-5-nitrobenzoate
CID 81445922
methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120
ethyl 2-[2-bromo-6-chloro-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6262759
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate?
The IUPAC name of methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate (CID 91674415) is methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate.
What is the SMILES notation for methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate?
The canonical SMILES for methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate is COC(=O)COc1c(Cl)cc([N+](=O)[O-])cc1Br.
What is the InChIKey of methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate?
The InChIKey is BZLYKTNUPLEXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO5/c1-16-8(13)4-17-9-6(10)2-5(12(14)15)3-7(9)11/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate?
methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate has a molecular weight of 324.51 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-6-chloro-4-nitrophenoxy)acetate is sourced from PubChem (CID 91674415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).