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80843-81-8 | 1-CHLORO-3-[3-[[2-METHYL-2-(3-METHYLPHENYL)BUTOXY]METHYL]PHENOXY]BENZE NE
CAS No: 80843-81-8 Catalog No: AG005IOJ MDL No:
Product Description
Catalog Number:
AG005IOJ
Chemical Name:
1-CHLORO-3-[3-[[2-METHYL-2-(3-METHYLPHENYL)BUTOXY]METHYL]PHENOXY]BENZE NE
CAS Number:
80843-81-8
Molecular Formula:
C25H27ClO2
Molecular Weight:
394.9337
IUPAC Name:
1-chloro-3-[3-[[2-methyl-2-(3-methylphenyl)butoxy]methyl]phenoxy]benzene
InChI:
InChI=1S/C25H27ClO2/c1-4-25(3,21-10-5-8-19(2)14-21)18-27-17-20-9-6-12-23(15-20)28-24-13-7-11-22(26)16-24/h5-16H,4,17-18H2,1-3H3
InChI Key:
VKFZPQNBKJJNDO-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)C)(COCc1cccc(c1)Oc1cccc(c1)Cl)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.17g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.939g/mol
Monoisotopic Mass:
394.17g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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