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133118-80-6 | 2H-1-Benzopyran-3(4H)-one, 8-bromo-
CAS No: 133118-80-6 Catalog No: AG0014AD MDL No:MFCD12828263
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
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