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87953-84-2 | 4H-1-Benzopyran-4-one, 6-chloro-5,8-dihydroxy-2-phenyl-
CAS No: 87953-84-2 Catalog No: AG004D4O MDL No:
Product Description
Catalog Number:
AG004D4O
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-5,8-dihydroxy-2-phenyl-
CAS Number:
87953-84-2
Molecular Formula:
C15H9ClO4
Molecular Weight:
288.6826
IUPAC Name:
6-chloro-5,8-dihydroxy-2-phenylchromen-4-one
InChI:
InChI=1S/C15H9ClO4/c16-9-6-11(18)15-13(14(9)19)10(17)7-12(20-15)8-4-2-1-3-5-8/h1-7,18-19H
InChI Key:
MOZCOPYKKCSAFD-UHFFFAOYSA-N
SMILES:
Clc1cc(O)c2c(c1O)c(=O)cc(o2)c1ccccc1
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.683g/mol
Monoisotopic Mass:
288.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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