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13179-06-1 | 4H-1-Benzopyran-4-one, 3,6-dichloro-2-[5-methyl-2-(1-methylethoxy)phenyl]-
CAS No: 13179-06-1 Catalog No: AG000ZQY MDL No:
Product Description
Catalog Number:
AG000ZQY
Chemical Name:
4H-1-Benzopyran-4-one, 3,6-dichloro-2-[5-methyl-2-(1-methylethoxy)phenyl]-
CAS Number:
13179-06-1
Molecular Formula:
C19H16Cl2O3
Molecular Weight:
363.2345
IUPAC Name:
3,6-dichloro-2-(5-methyl-2-propan-2-yloxyphenyl)chromen-4-one
InChI:
InChI=1S/C19H16Cl2O3/c1-10(2)23-16-6-4-11(3)8-14(16)19-17(21)18(22)13-9-12(20)5-7-15(13)24-19/h4-10H,1-3H3
InChI Key:
BJDBZPOQIKOABZ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1c1oc2ccc(cc2c(=O)c1Cl)Cl)C)C
NSC Number:
97706
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.048g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.234g/mol
Monoisotopic Mass:
362.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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