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88953-01-9 | 4H-1-Benzopyran-4-one, 6-bromo-2-(2-chlorophenyl)-
CAS No: 88953-01-9 Catalog No: AG0047TO MDL No:
Product Description
Catalog Number:
AG0047TO
Chemical Name:
4H-1-Benzopyran-4-one, 6-bromo-2-(2-chlorophenyl)-
CAS Number:
88953-01-9
Molecular Formula:
C15H8BrClO2
Molecular Weight:
335.5798
IUPAC Name:
6-bromo-2-(2-chlorophenyl)chromen-4-one
InChI:
InChI=1S/C15H8BrClO2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H
InChI Key:
FVVOWPSJYLMBFF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)cc(o2)c1ccccc1Cl
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.94g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.581g/mol
Monoisotopic Mass:
333.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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