CAS
93951-76-9 Purity
98 atom % D
93951-76-9 Purity
98 atom % D
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Phen-3,4-d2-ol,2,5,6-trichloro-(9ci)
CAS
93951-81-6
Catalog Number
ACM93951816
Category
Other Products
Molecular Weight
199.46
Molecular Formula
C6HCl3D2O
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- Product Description
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Specification
Synonyms
2,3,6-TRICHLOROPHENOL-4,5-D2
IUPAC Name
2,3,6-trichloro-4,5-dideuteriophenol
SMILES
C1=CC(=C(C(=C1Cl)O)Cl)Cl
InChI Key
XGCHAIDDPMFRLJ-QDNHWIQGSA-N
Exact Mass
197.93800
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C6H3Cl3O.
What is the molecular weight of the compound?
The molecular weight of the compound is 199.5 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2,3,6-trichloro-4,5-dideuteriophenol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H/i1D,2D.
What is the InChIKey of the compound?
The InChIKey of the compound is XGCHAIDDPMFRLJ-QDNHWIQGSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=C(C(=C1Cl)O)Cl)Cl.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is [2H]C1=C(C(=C(C(=C1Cl)O)Cl)Cl)[2H].
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 3.8.
How many hydrogen bond donor counts does the compound have?
The compound has one hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has one hydrogen bond acceptor count.
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