CAS
94120-01-1 Purity
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94120-01-1 Purity
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3-(2,4-Dichloro-phenyl)-2-methoxy-5-phenylsulfanylmethyl-furan
CAS
941270-41-3
Catalog Number
ACM941270413
Category
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What is the molecular formula of the compound with PubChem CID 90478089?
The molecular formula is C18H14Cl2O2S.
What is the molecular weight of the compound?
The molecular weight is 365.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(2,4-dichlorophenyl)-2-methoxy-5-(phenylsulfanylmethyl)furan.
What is the InChI code of the compound?
The InChI code is InChI=1S/C18H14Cl2O2S/c1-21-18-16(15-8-7-12(19)9-17(15)20)10-13(22-18)11-23-14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What is the InChIKey of the compound?
The InChIKey is NSCLOWLVRLPRFS-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is COC1=C(C=C(O1)CSC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 6.2.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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