(5-bromofuran-2-yl)methyl carbonochloridate

C6H4BrClO3 — CID 83824718

IUPAC(5-bromofuran-2-yl)methyl carbonochloridate
SMILESO=C(Cl)OCc1ccc(Br)o1
InChIInChI=1S/C6H4BrClO3/c7-5-2-1-4(11-5)3-10-6(8)9/h1-2H,3H2
InChIKeyBMOAGHHZGNOWCV-UHFFFAOYSA-N
MW239.45 g/mol
LogP2.92
Rot. Bonds2

About (5-bromofuran-2-yl)methyl carbonochloridate

(5-bromofuran-2-yl)methyl carbonochloridate (PubChem CID 83824718) has the molecular formula C6H4BrClO3 and a molecular weight of 239.45 g/mol. Its IUPAC name is (5-bromofuran-2-yl)methyl carbonochloridate.

Molecular Properties

Compound Name(5-bromofuran-2-yl)methyl carbonochloridate
PubChem CID83824718
Molecular FormulaC6H4BrClO3
Molecular Weight239.45 g/mol
Exact Mass237.90
IUPAC Name(5-bromofuran-2-yl)methyl carbonochloridate
SMILESO=C(Cl)OCc1ccc(Br)o1
InChIInChI=1S/C6H4BrClO3/c7-5-2-1-4(11-5)3-10-6(8)9/h1-2H,3H2
InChIKeyBMOAGHHZGNOWCV-UHFFFAOYSA-N
XLogP2.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-bromofuran-2-yl)methyl carbonochloridate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromofuran-2-yl) carbonochloridate
CID 87583331
2-[(5-bromofuran-2-yl)methoxy]-5-chlorobenzoic acid
CID 61379285
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
2-[(5-bromofuran-2-yl)methylamino]-2-oxoacetic acid
CID 131209047
2-bromo-5-(trifluoromethoxymethyl)furan
CID 53441705
N-[(5-bromofuran-2-yl)methoxy]methanamine
CID 117126797
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 16790036
2-(5-bromofuran-2-yl)ethylurea
CID 131153537
2-[(5-bromofuran-2-yl)methoxy]-5-fluorobenzoic acid
CID 113281408
2-bromo-5-(2-chloroethyl)furan
CID 64867320
(5-bromofuran-2-yl)methanesulfonyl chloride
CID 165443178

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)methyl carbonochloridate?
The IUPAC name of (5-bromofuran-2-yl)methyl carbonochloridate (CID 83824718) is (5-bromofuran-2-yl)methyl carbonochloridate.
What is the SMILES notation for (5-bromofuran-2-yl)methyl carbonochloridate?
The canonical SMILES for (5-bromofuran-2-yl)methyl carbonochloridate is O=C(Cl)OCc1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)methyl carbonochloridate?
The InChIKey is BMOAGHHZGNOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO3/c7-5-2-1-4(11-5)3-10-6(8)9/h1-2H,3H2.
What are the key properties of (5-bromofuran-2-yl)methyl carbonochloridate?
(5-bromofuran-2-yl)methyl carbonochloridate has a molecular weight of 239.45 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)methyl carbonochloridate is sourced from PubChem (CID 83824718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).