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100267-42-3 | Phenol, 2,6-bis[(5-chloro-2-hydroxyphenyl)methyl]-4-methyl-
CAS No: 100267-42-3 Catalog No: AG0001FM MDL No:
Product Description
Catalog Number:
AG0001FM
Chemical Name:
Phenol, 2,6-bis[(5-chloro-2-hydroxyphenyl)methyl]-4-methyl-
CAS Number:
100267-42-3
Molecular Formula:
C21H18Cl2O3
Molecular Weight:
389.2718
IUPAC Name:
2,6-bis[(5-chloro-2-hydroxyphenyl)methyl]-4-methylphenol
InChI:
InChI=1S/C21H18Cl2O3/c1-12-6-15(8-13-10-17(22)2-4-19(13)24)21(26)16(7-12)9-14-11-18(23)3-5-20(14)25/h2-7,10-11,24-26H,8-9H2,1H3
InChI Key:
HAWFXQMHXZGTAU-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2cc(Cl)ccc2O)c(c(c1)Cc1cc(Cl)ccc1O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.063g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
389.272g/mol
Monoisotopic Mass:
388.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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