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168759-60-2 | 4H-1-Benzopyran-4-one, 7-bromo-
CAS No: 168759-60-2 Catalog No: AG001Y9E MDL No:MFCD12196350
Product Description
Catalog Number:
AG001Y9E
Chemical Name:
4H-1-Benzopyran-4-one, 7-bromo-
CAS Number:
168759-60-2
Molecular Formula:
C9H5BrO2
Molecular Weight:
225.0388
MDL Number:
MFCD12196350
IUPAC Name:
7-bromochromen-4-one
InChI:
InChI=1S/C9H5BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
InChI Key:
WWAOCYNUAWVKGQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)occc2=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:
2.5
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