CAS
93951-66-7 Purity
98 atom % D
93951-66-7 Purity
98 atom % D
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Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)
CAS
93951-72-5
Catalog Number
ACM93951725
Category
Other Products
Molecular Weight
144.6
Molecular Formula
C7H5ClD2O
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Specification
Synonyms
4-Chloro-m-cresol-2,6-d2, 4-Chloro-3-methylphenol-2,6-d2, 588083_ALDRICH, 93951-72-5
IUPAC Name
4-chloro-2,6-dideuterio-3-methylphenol
Canonical SMILES
CC1=C(C=CC(=C1)O)Cl
InChI Key
CFKMVGJGLGKFKI-XRIVEGAOSA-N
Boiling Point
235ºC(lit.)
Melting Point
63-65ºC(lit.)
Flash Point
93.4ºC
Density
1.245g/cm³
Exact Mass
144.03100
Hazard Statements
Xn: Harmful;N: Dangerous for the environment;
H-Bond Acceptor
1
H-Bond Donor
1
Safety Description
26-36/37/39-61
What is the molecular formula of Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
The molecular formula is C7H7ClO.
When was Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci) first created and modified?
It was first created on July 16, 2007, and last modified on December 30, 2023.
What is the IUPAC name of Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
The IUPAC name is 4-chloro-2,6-dideuterio-3-methylphenol.
What is the InChIKey of Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
The InChIKey is CFKMVGJGLGKFKI-XRIVEGAOSA-N.
What is the XLogP3 value of Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
The XLogP3 value is 3.1.
What is the hydrogen bond donor count of Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
The hydrogen bond donor count is 1.
How many rotatable bond counts does Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci) have?
There are 0 rotatable bonds in Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci).
What is the topological polar surface area of Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
The topological polar surface area is 20.2 Ų.
How many heavy atoms are present in Phen-2,6-d2-ol,4-chloro-3-methyl-(9ci)?
There are 9 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
93951-70-3 Purity
99 atom % 13C
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