Home Halogens 1H-2-Benzopyran-1-one, 5-bromo-

1H-2-Benzopyran-1-one, 5-bromo-

CAS No.:
245677-36-5
Catalog Number:
AG002OKQ
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002OKQ
Chemical Name:
1H-2-Benzopyran-1-one, 5-bromo-
CAS Number:
245677-36-5
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
MDL Number:
MFCD26127317
IUPAC Name:
5-bromoisochromen-1-one
InChI:
InChI=1S/C9H5BrO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H
InChI Key:
WHYKRNIHXWPVRG-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1ccoc2=O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.947g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.041g/mol
Monoisotopic Mass:
223.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties