(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane

C9H7Cl2NO4 — CID 124680795

IUPAC(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1CO1
InChIInChI=1S/C9H7Cl2NO4/c10-6-1-8(12(13)14)9(2-7(6)11)16-4-5-3-15-5/h1-2,5H,3-4H2/t5-/m1/s1
InChIKeyJBZCUOLQCPKARX-RXMQYKEDSA-N
MW264.06 g/mol
LogP2.68
Rot. Bonds4

About (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane

(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane (PubChem CID 124680795) has the molecular formula C9H7Cl2NO4 and a molecular weight of 264.06 g/mol. Its IUPAC name is (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
PubChem CID124680795
Molecular FormulaC9H7Cl2NO4
Molecular Weight264.06 g/mol
Exact Mass262.98
IUPAC Name(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1CO1
InChIInChI=1S/C9H7Cl2NO4/c10-6-1-8(12(13)14)9(2-7(6)11)16-4-5-3-15-5/h1-2,5H,3-4H2/t5-/m1/s1
InChIKeyJBZCUOLQCPKARX-RXMQYKEDSA-N
XLogP2.68
TPSA64.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 52.68
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
2-[(4-bromo-2-nitrophenoxy)methyl]oxirane
CID 65430510
2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane
CID 71387086
2-[[2-nitro-4-(trifluoromethyl)phenoxy]methyl]oxirane
CID 82007824
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-2-methyloxirane
CID 107499464
3-(4,5-dichloro-2-nitrophenoxy)propanal
CID 107500535
2-[2-nitro-5-(oxiran-2-ylmethoxy)phenyl]-1,3-dioxolane
CID 10264953
[(2S)-oxiran-2-yl]methyl 4-chloro-3-nitrobenzenesulfonate
CID 14292094
2-(4,5-dichloro-2-nitrophenoxy)ethanesulfonyl chloride
CID 107501717
3-[(2-chloro-5-fluoro-4-nitrophenoxy)methyl]oxetane
CID 166538283
4-[2-(4,5-dichloro-2-nitrophenoxy)ethyl]piperidine
CID 107499870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane?
The IUPAC name of (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane (CID 124680795) is (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane.
What is the SMILES notation for (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane?
The canonical SMILES for (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane is O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H]1CO1.
What is the InChIKey of (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane?
The InChIKey is JBZCUOLQCPKARX-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H7Cl2NO4/c10-6-1-8(12(13)14)9(2-7(6)11)16-4-5-3-15-5/h1-2,5H,3-4H2/t5-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane?
(2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane has a molecular weight of 264.06 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dichloro-2-nitrophenoxy)methyl]oxirane is sourced from PubChem (CID 124680795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).