(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate

C8H4Cl2FNO5 — CID 10684426

IUPAC(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate
SMILESCOC(=O)Oc1c(Cl)cc(F)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H4Cl2FNO5/c1-16-8(13)17-7-3(9)2-4(11)6(5(7)10)12(14)15/h2H,1H3
InChIKeySBCZWNIARAXWHL-UHFFFAOYSA-N
MW284.03 g/mol
LogP3.19
Rot. Bonds2

About (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate

(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate (PubChem CID 10684426) has the molecular formula C8H4Cl2FNO5 and a molecular weight of 284.03 g/mol. Its IUPAC name is (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate.

Molecular Properties

Compound Name(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate
PubChem CID10684426
Molecular FormulaC8H4Cl2FNO5
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate
SMILESCOC(=O)Oc1c(Cl)cc(F)c([N+](=O)[O-])c1Cl
InChIInChI=1S/C8H4Cl2FNO5/c1-16-8(13)17-7-3(9)2-4(11)6(5(7)10)12(14)15/h2H,1H3
InChIKeySBCZWNIARAXWHL-UHFFFAOYSA-N
XLogP3.19
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 53.19
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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-4-methoxycarbonyloxy-2-nitrobenzoic acid
CID 163364262
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
1-(3-chloro-5-fluoro-4-nitrophenyl)ethanone
CID 171007567
methyl 4-bromo-5-chloro-3-fluoro-2-nitrobenzoate
CID 170388525
methyl (3,4,6-trifluoro-2-methylphenyl) carbonate
CID 137390650
methyl 3,5-dichloro-4-nitrobenzoate
CID 131863205
methyl 3-fluoro-5-methyl-2-nitrobenzoate
CID 134648376
(4-chloro-2-fluoro-5-nitrophenyl) ethyl carbonate
CID 154694360
1,5-dichloro-2-methoxy-3,4-dinitrobenzene
CID 154201735
[6-chloro-3-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-fluoro-2-nitrophenyl] acetate
CID 45104046
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
2,4-dichloro-1,5-difluoro-3-nitrobenzene
CID 10911296

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate?
The IUPAC name of (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate (CID 10684426) is (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate.
What is the SMILES notation for (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate?
The canonical SMILES for (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate is COC(=O)Oc1c(Cl)cc(F)c([N+](=O)[O-])c1Cl.
What is the InChIKey of (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate?
The InChIKey is SBCZWNIARAXWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FNO5/c1-16-8(13)17-7-3(9)2-4(11)6(5(7)10)12(14)15/h2H,1H3.
What are the key properties of (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate?
(2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate has a molecular weight of 284.03 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-fluoro-3-nitrophenyl) methyl carbonate is sourced from PubChem (CID 10684426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).