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102308-43-0 | 1(3H)-Isobenzofuranone, 4-bromo-
CAS No: 102308-43-0 Catalog No: AG000769 MDL No:MFCD06412577
Product Description
Catalog Number:
AG000769
Chemical Name:
1(3H)-Isobenzofuranone, 4-bromo-
CAS Number:
102308-43-0
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD06412577
IUPAC Name:
4-bromo-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5BrO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2
InChI Key:
MACJSJRQNWAGJM-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1cccc2Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.947g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.03g/mol
Monoisotopic Mass:
211.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and antibacterial activity of pentacyclines: a novel class of tetracycline analogs. | Journal of medicinal chemistry 20110609 |
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