(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate

C10H4Br2O5 — CID 150313379

IUPAC(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate
SMILESO=C(OC(=O)c1cc(Br)co1)c1cc(Br)co1
InChIInChI=1S/C10H4Br2O5/c11-5-1-7(15-3-5)9(13)17-10(14)8-2-6(12)4-16-8/h1-4H
InChIKeyGMCCTMGIGDUOBJ-UHFFFAOYSA-N
MW363.95 g/mol
LogP3.39
Rot. Bonds2

About (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate

(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate (PubChem CID 150313379) has the molecular formula C10H4Br2O5 and a molecular weight of 363.95 g/mol. Its IUPAC name is (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate.

Molecular Properties

Compound Name(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate
PubChem CID150313379
Molecular FormulaC10H4Br2O5
Molecular Weight363.95 g/mol
Exact Mass361.84
IUPAC Name(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate
SMILESO=C(OC(=O)c1cc(Br)co1)c1cc(Br)co1
InChIInChI=1S/C10H4Br2O5/c11-5-1-7(15-3-5)9(13)17-10(14)8-2-6(12)4-16-8/h1-4H
InChIKeyGMCCTMGIGDUOBJ-UHFFFAOYSA-N
XLogP3.39
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.95
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromofuran-2-yl)-2,2,2-trifluoroethanone
CID 67324553
1-(4-bromofuran-2-yl)-2-methylpropan-1-one
CID 83887386
propanoyl 4-methylfuran-2-carboxylate
CID 90883051
(3,5-dibromobenzoyl) 3,5-dibromobenzoate
CID 101290900
prop-2-enoyl 4-methylfuran-2-carboxylate
CID 175177546
methyl 4-(3-bromophenyl)furan-2-carboxylate
CID 117222845
4-bromo-2-(1-phenylethenyl)furan
CID 162352914
(5-methoxycarbonylfuran-3-yl)oxyboronic acid
CID 177305601
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 172964888
5-bromo-3-ethynylpyran-2-one
CID 101211798
4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide
CID 175265270
methyl 4-(4-hydroxyphenyl)furan-2-carboxylate
CID 117223143

Frequently Asked Questions

What is the IUPAC name of (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate?
The IUPAC name of (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate (CID 150313379) is (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate.
What is the SMILES notation for (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate?
The canonical SMILES for (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate is O=C(OC(=O)c1cc(Br)co1)c1cc(Br)co1.
What is the InChIKey of (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate?
The InChIKey is GMCCTMGIGDUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2O5/c11-5-1-7(15-3-5)9(13)17-10(14)8-2-6(12)4-16-8/h1-4H.
What are the key properties of (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate?
(4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate has a molecular weight of 363.95 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromofuran-2-carbonyl) 4-bromofuran-2-carboxylate is sourced from PubChem (CID 150313379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).