(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate

C8H5BrClFO3 — CID 54379718

IUPAC(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
SMILESCOC(=O)Oc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C8H5BrClFO3/c1-13-8(12)14-7-2-4(9)6(11)3-5(7)10/h2-3H,1H3
InChIKeyUZBIPTJGVBCMMI-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.39
Rot. Bonds1

About (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate

(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate (PubChem CID 54379718) has the molecular formula C8H5BrClFO3 and a molecular weight of 283.48 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
PubChem CID54379718
Molecular FormulaC8H5BrClFO3
Molecular Weight283.48 g/mol
Exact Mass281.91
IUPAC Name(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
SMILESCOC(=O)Oc1cc(Br)c(F)cc1Cl
InChIInChI=1S/C8H5BrClFO3/c1-13-8(12)14-7-2-4(9)6(11)3-5(7)10/h2-3H,1H3
InChIKeyUZBIPTJGVBCMMI-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-chloro-4-fluoro-3-methylphenyl) (5-bromo-2-chloro-4-fluorophenyl) carbonate
CID 139836582
bis[2-chloro-4-fluoro-5-(methoxycarbonylamino)phenyl] carbonate
CID 15766844
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801
1-bromo-4-chloro-2-fluoro-5-(4-methoxyphenoxy)benzene
CID 90434539
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521
(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate
CID 175573309
1-bromo-4-chloro-2-fluoro-5-(3-methoxyphenoxy)benzene
CID 90434559
N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
CID 71975409
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate?
The IUPAC name of (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate (CID 54379718) is (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate.
What is the SMILES notation for (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate?
The canonical SMILES for (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate is COC(=O)Oc1cc(Br)c(F)cc1Cl.
What is the InChIKey of (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate?
The InChIKey is UZBIPTJGVBCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO3/c1-13-8(12)14-7-2-4(9)6(11)3-5(7)10/h2-3H,1H3.
What are the key properties of (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate?
(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate has a molecular weight of 283.48 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-fluorophenyl) methyl carbonate is sourced from PubChem (CID 54379718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).