Home Halogens 2H-1-Benzopyran-3(4H)-one, 8-bromo-

2H-1-Benzopyran-3(4H)-one, 8-bromo-

CAS No.:
133118-80-6
Catalog Number:
AG0014AD
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0014AD
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 8-bromo-
CAS Number:
133118-80-6
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD12828263
IUPAC Name:
8-bromo-4H-chromen-3-one
InChI:
InChI=1S/C9H7BrO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3H,4-5H2
InChI Key:
GIOQDMYJFVLYBB-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1OCC(=O)C2
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:
2.1  
Properties