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13179-07-2 | 4H-1-Benzopyran-4-one, 3,6-dichloro-2-(2-hydroxy-5-methylphenyl)-
CAS No: 13179-07-2 Catalog No: AG000ZQX MDL No:
Product Description
Catalog Number:
AG000ZQX
Chemical Name:
4H-1-Benzopyran-4-one, 3,6-dichloro-2-(2-hydroxy-5-methylphenyl)-
CAS Number:
13179-07-2
Molecular Formula:
C16H10Cl2O3
Molecular Weight:
321.1548
IUPAC Name:
3,6-dichloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one
InChI:
InChI=1S/C16H10Cl2O3/c1-8-2-4-12(19)10(6-8)16-14(18)15(20)11-7-9(17)3-5-13(11)21-16/h2-7,19H,1H3
InChI Key:
AZTNOWAPOIJYET-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(c(o2)c1cc(C)ccc1O)Cl
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.001g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.153g/mol
Monoisotopic Mass:
320.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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