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146949-21-5 | Benzene, 1-[(2-chloro-4-methoxyphenoxy)methyl]-4-[(2,6-dichlorophenoxy)methyl]-
CAS No: 146949-21-5 Catalog No: AG001EGO MDL No:
Product Description
Catalog Number:
AG001EGO
Chemical Name:
Benzene, 1-[(2-chloro-4-methoxyphenoxy)methyl]-4-[(2,6-dichlorophenoxy)methyl]-
CAS Number:
146949-21-5
Molecular Formula:
C21H17Cl3O3
Molecular Weight:
423.7169
IUPAC Name:
1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene
InChI:
InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3
InChI Key:
XXMDDBVNWRWNCW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Cl)OCc1ccc(cc1)COc1c(Cl)cccc1Cl
UNII:
4ILA3VOV97
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.024g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.714g/mol
Monoisotopic Mass:
422.024g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| SCH 48973: a potent, broad-spectrum, antienterovirus compound. | Antimicrobial agents and chemotherapy 19970601 |
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