(5-bromofuran-2-yl) carbonochloridate

C5H2BrClO3 — CID 87583331

IUPAC(5-bromofuran-2-yl) carbonochloridate
SMILESO=C(Cl)Oc1ccc(Br)o1
InChIInChI=1S/C5H2BrClO3/c6-3-1-2-4(9-3)10-5(7)8/h1-2H
InChIKeyMDVSMPVWZDVTIS-UHFFFAOYSA-N
MW225.42 g/mol
LogP2.78
Rot. Bonds1

About (5-bromofuran-2-yl) carbonochloridate

(5-bromofuran-2-yl) carbonochloridate (PubChem CID 87583331) has the molecular formula C5H2BrClO3 and a molecular weight of 225.42 g/mol. Its IUPAC name is (5-bromofuran-2-yl) carbonochloridate.

Molecular Properties

Compound Name(5-bromofuran-2-yl) carbonochloridate
PubChem CID87583331
Molecular FormulaC5H2BrClO3
Molecular Weight225.42 g/mol
Exact Mass223.89
IUPAC Name(5-bromofuran-2-yl) carbonochloridate
SMILESO=C(Cl)Oc1ccc(Br)o1
InChIInChI=1S/C5H2BrClO3/c6-3-1-2-4(9-3)10-5(7)8/h1-2H
InChIKeyMDVSMPVWZDVTIS-UHFFFAOYSA-N
XLogP2.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromofuran-2-yl)methyl carbonochloridate
CID 83824718
N-(5-bromofuran-2-yl)oxymethanamine
CID 117126735
(E)-3-(5-bromofuran-2-yl)-3-chloroprop-2-enoic acid
CID 104654238
1,3-oxazol-5-yl carbonochloridate
CID 22445993
5-bromofuran-2-carboxylate
CID 4069229
(2,3,4,5,6-pentabromophenyl) carbonochloridate
CID 54234386
5-bromofuran-2-carboxamide;hydrochloride
CID 175240071
(4-methylphenyl) 5-bromofuran-2-carboxylate
CID 878839
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
(4-chloro-2-methylphenyl) 5-bromofuran-2-carboxylate
CID 1407236
tert-butyl 5-bromofuran-2-carboxylate
CID 18788676
1-(5-bromofuran-2-yl)ethyl acetate
CID 174586454

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl) carbonochloridate?
The IUPAC name of (5-bromofuran-2-yl) carbonochloridate (CID 87583331) is (5-bromofuran-2-yl) carbonochloridate.
What is the SMILES notation for (5-bromofuran-2-yl) carbonochloridate?
The canonical SMILES for (5-bromofuran-2-yl) carbonochloridate is O=C(Cl)Oc1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl) carbonochloridate?
The InChIKey is MDVSMPVWZDVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClO3/c6-3-1-2-4(9-3)10-5(7)8/h1-2H.
What are the key properties of (5-bromofuran-2-yl) carbonochloridate?
(5-bromofuran-2-yl) carbonochloridate has a molecular weight of 225.42 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl) carbonochloridate is sourced from PubChem (CID 87583331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).