CAS
94886-04-1 Purity
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94886-04-1 Purity
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2,3,6-Trichloro-4-(2,3,4,6-tetrachlorophenoxy)phenol
CAS
94888-13-8
Catalog Number
ACM94888138
Category
Other Products
Molecular Weight
427.322 g/mol
Molecular Formula
C12H3Cl7O2
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Specification
Synonyms
CID93510, 2,3,6-trichloro-4-(2,3,4,6-tetrachlorophenoxy)phenol, 94888-13-8
IUPAC Name
2,3,6-trichloro-4-(2,3,4,6-tetrachlorophenoxy)phenol
InChI Key
DFUJAPLNEALKPP-UHFFFAOYSA-N
Boiling Point
415.2ºC at 760mmHg
Flash Point
204.9ºC
Density
1.765g/cm³
Exact Mass
423.79500
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2,3,6-Trichloro-4-(2,3,4,6-tetrachlorophenoxy)phenol?
The molecular formula is C12H3Cl7O2.
When was this compound created and last modified?
It was created on 2005-08-08 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 2,3,6-trichloro-4-(2,3,4,6-tetrachlorophenoxy)phenol.
What is the InChI code for this compound?
The InChI code is InChI=1S/C12H3Cl7O2/c13-3-1-5(15)12(10(19)7(3)16)21-6-2-4(14)11(20)9(18)8(6)17/h1-2,20H.
What is the InChIKey of this compound?
The InChIKey is DFUJAPLNEALKPP-UHFFFAOYSA-N.
What is the Canonical SMILES representation of this compound?
The Canonical SMILES representation is C1=C(C(=C(C(=C1Cl)O)Cl)Cl)OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl.
What is the molecular weight of this compound?
The molecular weight is 427.3 g/mol.
How many hydrogen bond donor counts are there in this compound?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value for this compound?
The XLogP3-AA value is 7.5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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