Home Other Building Blocks 7-Bromoisochroman-4-one

7-Bromoisochroman-4-one

CAS No.:
168759-64-6
Catalog Number:
AG001Y9D
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$231
- +
250mg
95%
In Stock USA
United States
$399
- +
1g
95%
In Stock USA
United States
$798
- +
Product Description
Catalog Number:
AG001Y9D
Chemical Name:
7-Bromoisochroman-4-one
CAS Number:
168759-64-6
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD09744073
IUPAC Name:
7-bromo-1H-isochromen-4-one
InChI:
InChI=1S/C9H7BrO2/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-3H,4-5H2
InChI Key:
ASAGKWXSKFPRQW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)COCC2=O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties