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88952-84-5 | 4H-1-Benzopyran-4-one, 6-chloro-8-methyl-2-(4-methylphenyl)-
CAS No: 88952-84-5 Catalog No: AG0047TR MDL No:
Product Description
Catalog Number:
AG0047TR
Chemical Name:
4H-1-Benzopyran-4-one, 6-chloro-8-methyl-2-(4-methylphenyl)-
CAS Number:
88952-84-5
Molecular Formula:
C17H13ClO2
Molecular Weight:
284.7369
IUPAC Name:
6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
InChI:
InChI=1S/C17H13ClO2/c1-10-3-5-12(6-4-10)16-9-15(19)14-8-13(18)7-11(2)17(14)20-16/h3-9H,1-2H3
InChI Key:
GNYHZLHJLBYXLK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(=O)c2c(o1)c(C)cc(c2)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.739g/mol
Monoisotopic Mass:
284.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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