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88952-98-1

88952-98-1 | 4H-1-Benzopyran-4-one, 6,8-dichloro-2-(3-methoxyphenyl)-

CAS No: 88952-98-1 Catalog No: AG0047TQ MDL No:

Product Description

Catalog Number:
AG0047TQ
Chemical Name:
4H-1-Benzopyran-4-one, 6,8-dichloro-2-(3-methoxyphenyl)-
CAS Number:
88952-98-1
Molecular Formula:
C16H10Cl2O3
Molecular Weight:
321.1548
IUPAC Name:
6,8-dichloro-2-(3-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H10Cl2O3/c1-20-11-4-2-3-9(5-11)15-8-14(19)12-6-10(17)7-13(18)16(12)21-15/h2-8H,1H3
InChI Key:
VMRIKMJBTFGURB-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(=O)c2c(o1)c(Cl)cc(c2)Cl

Properties

Complexity:
437  
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:
0
Isotope Atom Count:
0
Molecular Weight:
321.153g/mol
Monoisotopic Mass:
320.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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