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20771-83-9 | Phenol, 2-[[(2,4,6-trichlorophenyl)imino]methyl]-
CAS No: 20771-83-9 Catalog No: AG002J7W MDL No:
Product Description
Catalog Number:
AG002J7W
Chemical Name:
Phenol, 2-[[(2,4,6-trichlorophenyl)imino]methyl]-
CAS Number:
20771-83-9
Molecular Formula:
C13H8Cl3NO
Molecular Weight:
300.5677
IUPAC Name:
2-[(2,4,6-trichlorophenyl)iminomethyl]phenol
InChI:
InChI=1S/C13H8Cl3NO/c14-9-5-10(15)13(11(16)6-9)17-7-8-3-1-2-4-12(8)18/h1-7,18H
InChI Key:
YDRZYEMILXPXEN-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)N=Cc1ccccc1O
NSC Number:
338142
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.967g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.563g/mol
Monoisotopic Mass:
298.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| 2-[(E)-(2,4,6-Trichloro-phen-yl)imino-meth-yl]phenol. | Acta crystallographica. Section E, Structure reports online 20110801 |
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