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100914-20-3 | 4H-1-Benzopyran-4-one, 6,8-dichloro-2-phenyl-
CAS No: 100914-20-3 Catalog No: AG00036V MDL No:
Product Description
Catalog Number:
AG00036V
Chemical Name:
4H-1-Benzopyran-4-one, 6,8-dichloro-2-phenyl-
CAS Number:
100914-20-3
Molecular Formula:
C15H8Cl2O2
Molecular Weight:
291.1288
IUPAC Name:
6,8-dichloro-2-phenylchromen-4-one
InChI:
InChI=1S/C15H8Cl2O2/c16-10-6-11-13(18)8-14(9-4-2-1-3-5-9)19-15(11)12(17)7-10/h1-8H
InChI Key:
GDMGCDYCMWRPOZ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)c(=O)cc(o2)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.99g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.127g/mol
Monoisotopic Mass:
289.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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