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76311-89-2 | 3-Bromofuran-2(5H);-one
CAS No: 76311-89-2 Catalog No: AG0056EQ MDL No:MFCD11109367
Product Description
Catalog Number:
AG0056EQ
Chemical Name:
3-Bromofuran-2(5H);-one
CAS Number:
76311-89-2
Molecular Formula:
C4H3BrO2
Molecular Weight:
162.9694
MDL Number:
MFCD11109367
IUPAC Name:
4-bromo-2H-furan-5-one
InChI:
InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2
InChI Key:
QSYHSDNIQZDYGF-UHFFFAOYSA-N
SMILES:
O=C1OC=CC1Br
EC Number:
278-416-9
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.932g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.97g/mol
Monoisotopic Mass:
161.932g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Vanadium bromoperoxidase from Delisea pulchra: enzyme-catalyzed formation of bromofuranone and attendant disruption of quorum sensing. | Chemical communications (Cambridge, England) 20111128 |
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