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88503-27-9 | 4H-1-Benzopyran-4-one, 8-chloro-5,7-dimethoxy-2-phenyl-
CAS No: 88503-27-9 Catalog No: AG0048A1 MDL No:
Product Description
Catalog Number:
AG0048A1
Chemical Name:
4H-1-Benzopyran-4-one, 8-chloro-5,7-dimethoxy-2-phenyl-
CAS Number:
88503-27-9
Molecular Formula:
C17H13ClO4
Molecular Weight:
316.7357
IUPAC Name:
8-chloro-5,7-dimethoxy-2-phenylchromen-4-one
InChI:
InChI=1S/C17H13ClO4/c1-20-13-9-14(21-2)16(18)17-15(13)11(19)8-12(22-17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChI Key:
ZSQMPQTVNIORHB-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1Cl)oc(cc2=O)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.737g/mol
Monoisotopic Mass:
316.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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