Home Halogens 7-bromo-3,4-dihydro-1H-2-benzopyran-1-one

7-bromo-3,4-dihydro-1H-2-benzopyran-1-one

CAS No.:
1394180-31-4
Catalog Number:
AG01B5BS
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
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Product Description
Catalog Number:
AG01B5BS
Chemical Name:
7-bromo-3,4-dihydro-1H-2-benzopyran-1-one
CAS Number:
1394180-31-4
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD27976138
IUPAC Name:
7-bromo-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C9H7BrO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-2,5H,3-4H2
InChI Key:
PAMOJTCNFNGBLS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=O)OCC2
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:
2.5  
Properties