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Home Other Building Blocks 5-Bromophthalide

5-Bromophthalide

CAS No.:
64169-34-2
Catalog Number:
AG00348G
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG00348G
Chemical Name:
5-Bromophthalide
CAS Number:
64169-34-2
Molecular Formula:
C8H5BrO2
Molecular Weight:
213.0281
MDL Number:
MFCD01797360
IUPAC Name:
5-bromo-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
InChI Key:
IUSPXLCLQIZFHL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)COC2=O
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:
1.5  
Literature
Title Journal
Synthesis and antibacterial activity of pentacyclines: a novel class of tetracycline analogs. Journal of medicinal chemistry 20110609
Properties