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168759-64-6 | 1H-2-Benzopyran-4(3H)-one, 7-bromo-
CAS No: 168759-64-6 Catalog No: AG001Y9D MDL No:MFCD09744073
Product Description
Catalog Number:
AG001Y9D
Chemical Name:
1H-2-Benzopyran-4(3H)-one, 7-bromo-
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
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