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82147-12-4 | Phenol, 2,3,4,5-tetrachloro-6-[(diethylamino)methyl]-
CAS No: 82147-12-4 Catalog No: AG005A4A MDL No:
Product Description
Catalog Number:
AG005A4A
Chemical Name:
Phenol, 2,3,4,5-tetrachloro-6-[(diethylamino)methyl]-
CAS Number:
82147-12-4
Molecular Formula:
C11H13Cl4NO
Molecular Weight:
317.0390
IUPAC Name:
2,3,4,5-tetrachloro-6-(diethylaminomethyl)phenol
InChI:
InChI=1S/C11H13Cl4NO/c1-3-16(4-2)5-6-7(12)8(13)9(14)10(15)11(6)17/h17H,3-5H2,1-2H3
InChI Key:
GHVPZCDUFVSLTC-UHFFFAOYSA-N
SMILES:
CCN(Cc1c(O)c(Cl)c(c(c1Cl)Cl)Cl)CC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.031g/mol
Monoisotopic Mass:
314.975g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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